N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide

C23H30N2O4S — CID 4945392

IUPACN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C23H30N2O4S/c1-18(2)17-29-22-10-6-5-9-21(22)23(26)24-19-11-13-20(14-12-19)30(27,28)25-15-7-3-4-8-16-25/h5-6,9-14,18H,3-4,7-8,15-17H2,1-2H3,(H,24,26)
InChIKeyRJOCNASHNSZKLM-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.54
Rot. Bonds7

About N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide

N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide (PubChem CID 4945392) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide
PubChem CID4945392
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C23H30N2O4S/c1-18(2)17-29-22-10-6-5-9-21(22)23(26)24-19-11-13-20(14-12-19)30(27,28)25-15-7-3-4-8-16-25/h5-6,9-14,18H,3-4,7-8,15-17H2,1-2H3,(H,24,26)
InChIKeyRJOCNASHNSZKLM-UHFFFAOYSA-N
XLogP4.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4947884
5-bromo-2-(2-methylpropoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 17050773
2-(2-ethoxyethoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17122717
2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4945295
3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17140290
2-(2-methoxyethoxy)-N-[(4-piperidin-1-ylsulfonylphenyl)carbamothioyl]benzamide
CID 17355942
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17355940
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dimethoxybenzamide
CID 51556740
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945399
5-bromo-2-(2-methylpropoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 17050775
2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1010360

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide?
The IUPAC name of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide (CID 4945392) is N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide is CC(C)COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide?
The InChIKey is RJOCNASHNSZKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-18(2)17-29-22-10-6-5-9-21(22)23(26)24-19-11-13-20(14-12-19)30(27,28)25-15-7-3-4-8-16-25/h5-6,9-14,18H,3-4,7-8,15-17H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide?
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide has a molecular weight of 430.57 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 4945392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).