N-ethyl-1-[2-(3-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide

C18H23N5O3S — CID 166173014

IUPACN-ethyl-1-[2-(3-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide
SMILESCCNC(=O)C1(c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)CCCC1
InChIInChI=1S/C18H23N5O3S/c1-2-20-16(24)18(9-3-4-10-18)15-8-11-21-17(23-15)22-13-6-5-7-14(12-13)27(19,25)26/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,24)(H2,19,25,26)(H,21,22,23)
InChIKeyFTTBWFRANWLSTL-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.82
Rot. Bonds6

About N-ethyl-1-[2-(3-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide

N-ethyl-1-[2-(3-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide (PubChem CID 166173014) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-ethyl-1-[2-(3-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[2-(3-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide
PubChem CID166173014
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC NameN-ethyl-1-[2-(3-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide
SMILESCCNC(=O)C1(c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)CCCC1
InChIInChI=1S/C18H23N5O3S/c1-2-20-16(24)18(9-3-4-10-18)15-8-11-21-17(23-15)22-13-6-5-7-14(12-13)27(19,25)26/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,24)(H2,19,25,26)(H,21,22,23)
InChIKeyFTTBWFRANWLSTL-UHFFFAOYSA-N
XLogP1.82
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide
CID 166173039
1-[2-(4-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide
CID 166173003
3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347156
3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide
CID 63132301
3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide
CID 153326122
3-[[4-[6-[2-(1-hydroxycyclohexyl)ethynyl]indol-1-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 162517055
3-[[4-[4-[(ethylsulfonylamino)methyl]anilino]-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 69262625
3-[(10-oxospiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]benzenesulfonamide
CID 155209079
2-(1-aminocyclohexyl)-N-(3-sulfamoylphenyl)acetamide
CID 64683337
3-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 166535084
3-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ylamino)benzenesulfonamide
CID 11405920
N-ethyl-3-sulfamoylbenzamide
CID 43089872

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(3-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide?
The IUPAC name of N-ethyl-1-[2-(3-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide (CID 166173014) is N-ethyl-1-[2-(3-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-ethyl-1-[2-(3-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide?
The canonical SMILES for N-ethyl-1-[2-(3-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide is CCNC(=O)C1(c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)CCCC1.
What is the InChIKey of N-ethyl-1-[2-(3-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide?
The InChIKey is FTTBWFRANWLSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-2-20-16(24)18(9-3-4-10-18)15-8-11-21-17(23-15)22-13-6-5-7-14(12-13)27(19,25)26/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,24)(H2,19,25,26)(H,21,22,23).
What are the key properties of N-ethyl-1-[2-(3-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide?
N-ethyl-1-[2-(3-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(3-sulfamoylanilino)pyrimidin-4-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 166173014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).