N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide

C22H26N2O5S — CID 17434438

IUPACN-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C22H26N2O5S/c1-16(25)17-7-10-19(11-8-17)23-22(26)18-9-12-20(29-2)21(15-18)30(27,28)24-13-5-3-4-6-14-24/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,26)
InChIKeyTXVRSRWXHBTIFD-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.71
Rot. Bonds6

About N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide

N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide (PubChem CID 17434438) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide
PubChem CID17434438
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C22H26N2O5S/c1-16(25)17-7-10-19(11-8-17)23-22(26)18-9-12-20(29-2)21(15-18)30(27,28)24-13-5-3-4-6-14-24/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,26)
InChIKeyTXVRSRWXHBTIFD-UHFFFAOYSA-N
XLogP3.71
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-iodophenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892179
N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1310055
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
4-methoxy-N-(4-phenoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 18892205
1-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 39382905
4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 99968232
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2665878
4-methoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742149
dimethyl 5-[(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 45373598
N-[4-(2-amino-2-oxoethyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 39280812
N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665148

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide?
The IUPAC name of N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide (CID 17434438) is N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide?
The InChIKey is TXVRSRWXHBTIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-16(25)17-7-10-19(11-8-17)23-22(26)18-9-12-20(29-2)21(15-18)30(27,28)24-13-5-3-4-6-14-24/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,26).
What are the key properties of N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide?
N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide has a molecular weight of 430.53 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide is sourced from PubChem (CID 17434438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).