N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C21H26N4O4S — CID 33151117

IUPACN-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(NC(N)=O)cc3)CC2)cc1C
InChIInChI=1S/C21H26N4O4S/c1-14-3-8-19(13-15(14)2)30(28,29)25-11-9-16(10-12-25)20(26)23-17-4-6-18(7-5-17)24-21(22)27/h3-8,13,16H,9-12H2,1-2H3,(H,23,26)(H3,22,24,27)
InChIKeyOCRQSBBJOBEGKQ-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.83
Rot. Bonds5

About N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 33151117) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID33151117
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC NameN-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(NC(N)=O)cc3)CC2)cc1C
InChIInChI=1S/C21H26N4O4S/c1-14-3-8-19(13-15(14)2)30(28,29)25-11-9-16(10-12-25)20(26)23-17-4-6-18(7-5-17)24-21(22)27/h3-8,13,16H,9-12H2,1-2H3,(H,23,26)(H3,22,24,27)
InChIKeyOCRQSBBJOBEGKQ-UHFFFAOYSA-N
XLogP2.83
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26687484
1-(3,4-dimethylphenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 7947516
N-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119515348
1-(3,4-dimethylphenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 55748874
1-(3,4-dimethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 1088318
N-[4-(difluoromethylsulfanyl)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26499251
1-(3,4-dimethylphenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 8759981
N-(2,6-dimethylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26894384
N-(3-acetylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 34830036
1-(3,4-dimethylphenyl)sulfonyl-N-(1-ethyl-6-oxo-3-pyridinyl)piperidine-4-carboxamide
CID 60552518
4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid
CID 1444979
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 24687063

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 33151117) is N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(NC(N)=O)cc3)CC2)cc1C.
What is the InChIKey of N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is OCRQSBBJOBEGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-14-3-8-19(13-15(14)2)30(28,29)25-11-9-16(10-12-25)20(26)23-17-4-6-18(7-5-17)24-21(22)27/h3-8,13,16H,9-12H2,1-2H3,(H,23,26)(H3,22,24,27).
What are the key properties of N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 33151117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).