1-[2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide

C22H27N3O5S — CID 126014254

IUPAC1-[2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)Cc2ccccc2)cc1
InChIInChI=1S/C22H27N3O5S/c1-30-19-7-9-20(10-8-19)31(28,29)25(15-17-5-3-2-4-6-17)16-21(26)24-13-11-18(12-14-24)22(23)27/h2-10,18H,11-16H2,1H3,(H2,23,27)
InChIKeyYTFNJZPSSFUGJO-UHFFFAOYSA-N
MW445.54 g/mol
LogP1.61
Rot. Bonds8

About 1-[2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide

1-[2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide (PubChem CID 126014254) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is 1-[2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide
PubChem CID126014254
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name1-[2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)Cc2ccccc2)cc1
InChIInChI=1S/C22H27N3O5S/c1-30-19-7-9-20(10-8-19)31(28,29)25(15-17-5-3-2-4-6-17)16-21(26)24-13-11-18(12-14-24)22(23)27/h2-10,18H,11-16H2,1H3,(H2,23,27)
InChIKeyYTFNJZPSSFUGJO-UHFFFAOYSA-N
XLogP1.61
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide
CID 126014237
1-[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]piperidine-4-carboxamide
CID 45374478
ethyl 1-[2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxylate
CID 3638449
1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide
CID 51171015
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
N-benzyl-4-methoxy-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2224050
N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide
CID 3381789
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-[(4-bromophenyl)methyl]-4-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788500
1-[2-[(4-chlorophenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxamide
CID 2982052
4-acetyl-N-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 4879572
N-benzyl-4-bromo-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1120651

Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide (CID 126014254) is 1-[2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)Cc2ccccc2)cc1.
What is the InChIKey of 1-[2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide?
The InChIKey is YTFNJZPSSFUGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-30-19-7-9-20(10-8-19)31(28,29)25(15-17-5-3-2-4-6-17)16-21(26)24-13-11-18(12-14-24)22(23)27/h2-10,18H,11-16H2,1H3,(H2,23,27).
What are the key properties of 1-[2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide?
1-[2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 126014254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).