trans-(1S,2S)-2-[[2-[4-(phenylsulfamoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide

C24H24F3N5O3S — CID 58464565

IUPACtrans-(1S,2S)-2-[[2-[4-(phenylsulfamoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide
SMILESNC(=O)[C@H]1CCC[C@H]1Cc1nc(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)ncc1C(F)(F)F
InChIInChI=1S/C24H24F3N5O3S/c25-24(26,27)20-14-29-23(31-21(20)13-15-5-4-8-19(15)22(28)33)30-16-9-11-18(12-10-16)36(34,35)32-17-6-2-1-3-7-17/h1-3,6-7,9-12,14-15,19,32H,4-5,8,13H2,(H2,28,33)(H,29,30,31)/t15-,19-/m0/s1
InChIKeyMQVHQZDNPLHRQO-KXBFYZLASA-N
MW519.55 g/mol
LogP4.48
Rot. Bonds8

About trans-(1S,2S)-2-[[2-[4-(phenylsulfamoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide

trans-(1S,2S)-2-[[2-[4-(phenylsulfamoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 58464565) has the molecular formula C24H24F3N5O3S and a molecular weight of 519.55 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[2-[4-(phenylsulfamoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[2-[4-(phenylsulfamoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide
PubChem CID58464565
Molecular FormulaC24H24F3N5O3S
Molecular Weight519.55 g/mol
Exact Mass519.16
IUPAC Nametrans-(1S,2S)-2-[[2-[4-(phenylsulfamoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide
SMILESNC(=O)[C@H]1CCC[C@H]1Cc1nc(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)ncc1C(F)(F)F
InChIInChI=1S/C24H24F3N5O3S/c25-24(26,27)20-14-29-23(31-21(20)13-15-5-4-8-19(15)22(28)33)30-16-9-11-18(12-10-16)36(34,35)32-17-6-2-1-3-7-17/h1-3,6-7,9-12,14-15,19,32H,4-5,8,13H2,(H2,28,33)(H,29,30,31)/t15-,19-/m0/s1
InChIKeyMQVHQZDNPLHRQO-KXBFYZLASA-N
XLogP4.48
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.55
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze trans-(1S,2S)-2-[[2-[4-(phenylsulfamoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,2S)-2-[[2-[4-(dimethylsulfamoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 58464637
4-[[4-[[(1S,2S)-2-carbamoylcyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-phenylbenzamide
CID 58464612
N-methyl-N-(1-methylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-4-[[(1S,2S)-2-(3,3,3-trifluoropropylcarbamoyl)cyclopentyl]methyl]pyrimidin-2-yl]amino]benzamide
CID 158215428
4-[[4-[[(1S,2S)-2-[(2-amino-2-oxoethyl)carbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 159941767
trans-(1S,2S)-2-[[5-methyl-2-[4-(4-phenylbutanoyl)anilino]pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 58464716
N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 158788863
trans-(1S,2S)-N-propan-2-yl-2-[[2-[4-(4-pyrrolidin-1-ylbutanoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 58464674
4-[[4-[[(1S,2S)-2-(cyanomethylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 159491664
4-[[4-[[(1S,2S)-2-[2-(dimethylamino)ethylcarbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 157080121
4-[[4-[[(1S,2S)-2-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 157179899
N-methyl-N-(1-methylpiperidin-4-yl)-4-[[4-[[(1S,2S)-2-(oxan-4-ylcarbamoyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 157080122
trans-(1S,2S)-2-[[5-fluoro-2-[4-[2-(1-methylpiperidin-4-yl)acetyl]anilino]pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 58464659

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[2-[4-(phenylsulfamoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-[[2-[4-(phenylsulfamoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide (CID 58464565) is trans-(1S,2S)-2-[[2-[4-(phenylsulfamoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-[[2-[4-(phenylsulfamoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-[[2-[4-(phenylsulfamoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide is NC(=O)[C@H]1CCC[C@H]1Cc1nc(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)ncc1C(F)(F)F.
What is the InChIKey of trans-(1S,2S)-2-[[2-[4-(phenylsulfamoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide?
The InChIKey is MQVHQZDNPLHRQO-KXBFYZLASA-N. The full InChI is InChI=1S/C24H24F3N5O3S/c25-24(26,27)20-14-29-23(31-21(20)13-15-5-4-8-19(15)22(28)33)30-16-9-11-18(12-10-16)36(34,35)32-17-6-2-1-3-7-17/h1-3,6-7,9-12,14-15,19,32H,4-5,8,13H2,(H2,28,33)(H,29,30,31)/t15-,19-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[2-[4-(phenylsulfamoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide?
trans-(1S,2S)-2-[[2-[4-(phenylsulfamoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide has a molecular weight of 519.55 g/mol, XLogP of 4.48, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[2-[4-(phenylsulfamoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 58464565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).