1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide

C23H29N3O4S — CID 69112646

IUPAC1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)Nc2ccc(C3CCCC3NS(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C23H29N3O4S/c1-15(2)31(29,30)26-21-6-4-5-20(21)16-11-13-19(14-12-16)25-23(28)18-9-7-17(8-10-18)22(27)24-3/h7-15,20-21,26H,4-6H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyKAQBQDWJUORDRX-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.26
Rot. Bonds7

About 1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide

1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide (PubChem CID 69112646) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide
PubChem CID69112646
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)Nc2ccc(C3CCCC3NS(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C23H29N3O4S/c1-15(2)31(29,30)26-21-6-4-5-20(21)16-11-13-19(14-12-16)25-23(28)18-9-7-17(8-10-18)22(27)24-3/h7-15,20-21,26H,4-6H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyKAQBQDWJUORDRX-UHFFFAOYSA-N
XLogP3.26
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide with MolForge

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Related Compounds

4-cyano-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 69112222
4-isocyano-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 59103258
3,5-difluoro-N-[4-[(1S,2S)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 10159252
3,5-difluoro-N-[4-[(1R,2R)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzamide
CID 59103276
4-[4-[(2S)-2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzoic acid
CID 71082450
N-methyl-4-[4-[(3R,4R)-3-(propan-2-ylsulfonylamino)oxan-4-yl]phenyl]benzamide
CID 68545500
N-[(2R)-2-(4-iodophenyl)cyclopentyl]propane-2-sulfonamide
CID 163613729
3,5-difluoro-N-[4-[1-methyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide
CID 68549276
N-[4-[(3S,4S)-1-acetyl-4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]-3,5-difluorobenzamide
CID 68541385
N-[(1R,2R)-2-[4-[3-(methanesulfonamido)phenyl]phenyl]cyclopentyl]propane-2-sulfonamide
CID 59103287
4-(1-cyclohexylethylamino)-N-methylbenzamide
CID 43781056
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 112758656

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide (CID 69112646) is 1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide is CNC(=O)c1ccc(C(=O)Nc2ccc(C3CCCC3NS(=O)(=O)C(C)C)cc2)cc1.
What is the InChIKey of 1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide?
The InChIKey is KAQBQDWJUORDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-15(2)31(29,30)26-21-6-4-5-20(21)16-11-13-19(14-12-16)25-23(28)18-9-7-17(8-10-18)22(27)24-3/h7-15,20-21,26H,4-6H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide?
1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide has a molecular weight of 443.57 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-[4-[2-(propan-2-ylsulfonylamino)cyclopentyl]phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 69112646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).