N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C21H26N4O4S — CID 46513159

IUPACN-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(NC(N)=O)cc3)CC2)cc1
InChIInChI=1S/C21H26N4O4S/c1-15-2-8-19(9-3-15)30(28,29)25-12-10-17(11-13-25)20(26)23-14-16-4-6-18(7-5-16)24-21(22)27/h2-9,17H,10-14H2,1H3,(H,23,26)(H3,22,24,27)
InChIKeyRZWPDLHATSXBPU-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.20
Rot. Bonds6

About N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 46513159) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID46513159
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC NameN-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(NC(N)=O)cc3)CC2)cc1
InChIInChI=1S/C21H26N4O4S/c1-15-2-8-19(9-3-15)30(28,29)25-12-10-17(11-13-25)20(26)23-14-16-4-6-18(7-5-16)24-21(22)27/h2-9,17H,10-14H2,1H3,(H,23,26)(H3,22,24,27)
InChIKeyRZWPDLHATSXBPU-UHFFFAOYSA-N
XLogP2.20
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 20968119
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 60532408
1-(4-methylphenyl)sulfonyl-N-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46590461
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 28561956
1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55727564
N-[4-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 33151117
N-[(2,4-dimethylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55583735
1-(1-methylindol-5-yl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 20876953
N-[(4-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 133356293
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158

Frequently Asked Questions

What is the IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 46513159) is N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(NC(N)=O)cc3)CC2)cc1.
What is the InChIKey of N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is RZWPDLHATSXBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-15-2-8-19(9-3-15)30(28,29)25-12-10-17(11-13-25)20(26)23-14-16-4-6-18(7-5-16)24-21(22)27/h2-9,17H,10-14H2,1H3,(H,23,26)(H3,22,24,27).
What are the key properties of N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46513159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).