1-N-[(2S)-pentan-2-yl]-4-N-(4-sulfamoylphenyl)piperidine-1,4-dicarboxamide

C18H28N4O4S — CID 41134383

IUPAC1-N-[(2S)-pentan-2-yl]-4-N-(4-sulfamoylphenyl)piperidine-1,4-dicarboxamide
SMILESCCC[C@H](C)NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C18H28N4O4S/c1-3-4-13(2)20-18(24)22-11-9-14(10-12-22)17(23)21-15-5-7-16(8-6-15)27(19,25)26/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,20,24)(H,21,23)(H2,19,25,26)/t13-/m0/s1
InChIKeyHGFPKHGBSRWXDZ-ZDUSSCGKSA-N
MW396.51 g/mol
LogP1.88
Rot. Bonds6

About 1-N-[(2S)-pentan-2-yl]-4-N-(4-sulfamoylphenyl)piperidine-1,4-dicarboxamide

1-N-[(2S)-pentan-2-yl]-4-N-(4-sulfamoylphenyl)piperidine-1,4-dicarboxamide (PubChem CID 41134383) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is 1-N-[(2S)-pentan-2-yl]-4-N-(4-sulfamoylphenyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2S)-pentan-2-yl]-4-N-(4-sulfamoylphenyl)piperidine-1,4-dicarboxamide
PubChem CID41134383
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC Name1-N-[(2S)-pentan-2-yl]-4-N-(4-sulfamoylphenyl)piperidine-1,4-dicarboxamide
SMILESCCC[C@H](C)NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C18H28N4O4S/c1-3-4-13(2)20-18(24)22-11-9-14(10-12-22)17(23)21-15-5-7-16(8-6-15)27(19,25)26/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,20,24)(H,21,23)(H2,19,25,26)/t13-/m0/s1
InChIKeyHGFPKHGBSRWXDZ-ZDUSSCGKSA-N
XLogP1.88
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308321
1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 41308319
1-pentan-2-yl-3-(4-sulfamoylphenyl)thiourea
CID 19652353
1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 16909772
1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide
CID 46428935
1-[2-(2-ethylphenoxy)acetyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 55395932
1-(furan-2-carbonyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 6497474
1-[3-(cyclopropanecarbonylamino)benzoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 31589377
1-(4-cyanobutyl)-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 51260859
1-[3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 47009647
4-N-(4-methoxyphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428723
4-N-[4-(diethylsulfamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922315

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2S)-pentan-2-yl]-4-N-(4-sulfamoylphenyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(2S)-pentan-2-yl]-4-N-(4-sulfamoylphenyl)piperidine-1,4-dicarboxamide (CID 41134383) is 1-N-[(2S)-pentan-2-yl]-4-N-(4-sulfamoylphenyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(2S)-pentan-2-yl]-4-N-(4-sulfamoylphenyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(2S)-pentan-2-yl]-4-N-(4-sulfamoylphenyl)piperidine-1,4-dicarboxamide is CCC[C@H](C)NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 1-N-[(2S)-pentan-2-yl]-4-N-(4-sulfamoylphenyl)piperidine-1,4-dicarboxamide?
The InChIKey is HGFPKHGBSRWXDZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H28N4O4S/c1-3-4-13(2)20-18(24)22-11-9-14(10-12-22)17(23)21-15-5-7-16(8-6-15)27(19,25)26/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,20,24)(H,21,23)(H2,19,25,26)/t13-/m0/s1.
What are the key properties of 1-N-[(2S)-pentan-2-yl]-4-N-(4-sulfamoylphenyl)piperidine-1,4-dicarboxamide?
1-N-[(2S)-pentan-2-yl]-4-N-(4-sulfamoylphenyl)piperidine-1,4-dicarboxamide has a molecular weight of 396.51 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2S)-pentan-2-yl]-4-N-(4-sulfamoylphenyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 41134383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).