N-(3-chlorophenyl)-4-[[2-[ethylsulfonyl(propyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]piperidine-1-carboxamide

C27H37ClN4O4S — CID 46108926

IUPACN-(3-chlorophenyl)-4-[[2-[ethylsulfonyl(propyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]piperidine-1-carboxamide
SMILESCCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1)S(=O)(=O)CC
InChIInChI=1S/C27H37ClN4O4S/c1-4-15-31(37(35,36)5-2)20-26(33)32(19-22-10-7-6-9-21(22)3)25-13-16-30(17-14-25)27(34)29-24-12-8-11-23(28)18-24/h6-12,18,25H,4-5,13-17,19-20H2,1-3H3,(H,29,34)
InChIKeyUHAXAKCSDZTGKP-UHFFFAOYSA-N
MW549.14 g/mol
LogP4.74
Rot. Bonds10

About N-(3-chlorophenyl)-4-[[2-[ethylsulfonyl(propyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]piperidine-1-carboxamide

N-(3-chlorophenyl)-4-[[2-[ethylsulfonyl(propyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]piperidine-1-carboxamide (PubChem CID 46108926) has the molecular formula C27H37ClN4O4S and a molecular weight of 549.14 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[[2-[ethylsulfonyl(propyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[[2-[ethylsulfonyl(propyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]piperidine-1-carboxamide
PubChem CID46108926
Molecular FormulaC27H37ClN4O4S
Molecular Weight549.14 g/mol
Exact Mass548.22
IUPAC NameN-(3-chlorophenyl)-4-[[2-[ethylsulfonyl(propyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]piperidine-1-carboxamide
SMILESCCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1)S(=O)(=O)CC
InChIInChI=1S/C27H37ClN4O4S/c1-4-15-31(37(35,36)5-2)20-26(33)32(19-22-10-7-6-9-21(22)3)25-13-16-30(17-14-25)27(34)29-24-12-8-11-23(28)18-24/h6-12,18,25H,4-5,13-17,19-20H2,1-3H3,(H,29,34)
InChIKeyUHAXAKCSDZTGKP-UHFFFAOYSA-N
XLogP4.74
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.14
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[benzenesulfonyl(propyl)amino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 42880651
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 46108957
2-[ethylsulfonyl(propyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46108870
2-[ethylsulfonyl(propyl)amino]-N-[1-(4-methoxybenzoyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46108846
2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 42880734
N-[1-(4-butoxybenzoyl)piperidin-4-yl]-2-[ethylsulfonyl(propyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 46108875
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
4-[[2-[benzenesulfonyl(propyl)amino]acetyl]-benzylamino]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 46108884
4-[[2-[benzenesulfonyl(propyl)amino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-phenylpiperidine-1-carboxamide
CID 42880652
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-tert-butyl-4-[(3-chlorophenyl)methyl-[2-[2-methoxyethyl(propylsulfonyl)amino]acetyl]amino]piperidine-1-carboxamide
CID 46108906
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[[2-[ethylsulfonyl(propyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]piperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[[2-[ethylsulfonyl(propyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]piperidine-1-carboxamide (CID 46108926) is N-(3-chlorophenyl)-4-[[2-[ethylsulfonyl(propyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[[2-[ethylsulfonyl(propyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]piperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[[2-[ethylsulfonyl(propyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]piperidine-1-carboxamide is CCCN(CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1)S(=O)(=O)CC.
What is the InChIKey of N-(3-chlorophenyl)-4-[[2-[ethylsulfonyl(propyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]piperidine-1-carboxamide?
The InChIKey is UHAXAKCSDZTGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37ClN4O4S/c1-4-15-31(37(35,36)5-2)20-26(33)32(19-22-10-7-6-9-21(22)3)25-13-16-30(17-14-25)27(34)29-24-12-8-11-23(28)18-24/h6-12,18,25H,4-5,13-17,19-20H2,1-3H3,(H,29,34).
What are the key properties of N-(3-chlorophenyl)-4-[[2-[ethylsulfonyl(propyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]piperidine-1-carboxamide?
N-(3-chlorophenyl)-4-[[2-[ethylsulfonyl(propyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]piperidine-1-carboxamide has a molecular weight of 549.14 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[[2-[ethylsulfonyl(propyl)amino]acetyl]-[(2-methylphenyl)methyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 46108926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).