4-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide

C19H23N3O4S — CID 9204201

IUPAC4-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H23N3O4S/c1-26-18-10-6-5-7-16(18)15-20-19(23)21-11-13-22(14-12-21)27(24,25)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3,(H,20,23)
InChIKeyHKKMAETYQWRWAK-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.91
Rot. Bonds5

About 4-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide

4-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 9204201) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID9204201
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name4-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H23N3O4S/c1-26-18-10-6-5-7-16(18)15-20-19(23)21-11-13-22(14-12-21)27(24,25)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3,(H,20,23)
InChIKeyHKKMAETYQWRWAK-UHFFFAOYSA-N
XLogP1.91
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-((1-(benzenesulfonyl)piperidin-4-yl)formamido)-N-((2-methoxyphenyl)methyl)propanamide
CID 17585104
2-[benzenesulfonyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 890682
1-(Benzenesulfonyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 1122528
1-(3-Methoxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1131760
1-[2-(4-methoxyphenyl)-3-(phenylsulfonyl)tetrahydropyrimidin-1(2H)-yl]-2-(pyrrolidin-1-yl)ethanone
CID 5298657
1-Benzyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 660773
1-[(4-Methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylurea
CID 821106
1-(2-Methoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 1122338
N-(2-Methoxy-benzyl)-3-(morpholine-4-sulfonyl)-benzenesulfonamide
CID 648711
(S)-N-(2-methoxybenzyl)-1-(1-tosylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 662554
1-[(2,5-dimethoxyphenyl)sulfonyl]-N-(2-methoxybenzyl)-4-piperidinecarboxamide
CID 1093362
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 1327541

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide (CID 9204201) is 4-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide is COc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is HKKMAETYQWRWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-18-10-6-5-7-16(18)15-20-19(23)21-11-13-22(14-12-21)27(24,25)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3,(H,20,23).
What are the key properties of 4-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide?
4-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 9204201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).