N-[1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]-4-methylpentanamide

C19H28N2O5S — CID 70088687

IUPACN-[1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]-4-methylpentanamide
SMILESCOc1cccc(S(=O)(=O)N2CCCC(NC(=O)CCC(C)C)C(=O)C2)c1
InChIInChI=1S/C19H28N2O5S/c1-14(2)9-10-19(23)20-17-8-5-11-21(13-18(17)22)27(24,25)16-7-4-6-15(12-16)26-3/h4,6-7,12,14,17H,5,8-11,13H2,1-3H3,(H,20,23)
InChIKeyCHEROHUWCDFZAJ-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.97
Rot. Bonds7

About N-[1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]-4-methylpentanamide

N-[1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]-4-methylpentanamide (PubChem CID 70088687) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]-4-methylpentanamide
PubChem CID70088687
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC NameN-[1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]-4-methylpentanamide
SMILESCOc1cccc(S(=O)(=O)N2CCCC(NC(=O)CCC(C)C)C(=O)C2)c1
InChIInChI=1S/C19H28N2O5S/c1-14(2)9-10-19(23)20-17-8-5-11-21(13-18(17)22)27(24,25)16-7-4-6-15(12-16)26-3/h4,6-7,12,14,17H,5,8-11,13H2,1-3H3,(H,20,23)
InChIKeyCHEROHUWCDFZAJ-UHFFFAOYSA-N
XLogP1.97
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-[[(4S)-1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 59045797
5-methoxy-N-[(2S)-1-[[(4S)-1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 59045863
N-[1-[[(4S)-1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-methylindole-2-carboxamide
CID 54506254
N-[(2S)-1-[[(4S)-1-(3-chlorophenyl)sulfonyl-3-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-methoxy-1-benzofuran-2-carboxamide
CID 59045836
2-amino-N-[(3S)-3-hydroxy-1-(3-methoxyphenyl)sulfonylazepan-4-yl]-4-methylpentanamide
CID 54188592
(3S)-N-cyclohexyl-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 11531019
3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121092334
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpentanamide
CID 25465668
1-(3-methoxyphenyl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine
CID 91909491
N-[1-(benzenesulfonyl)-3-oxoazepan-4-yl]-4-methyl-2-[methyl-(2-naphthalen-2-ylacetyl)amino]pentanamide
CID 10120469
N-(3-hydroxycyclohexyl)-1-(3-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 76823868
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]-4-methylpentanamide?
The IUPAC name of N-[1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]-4-methylpentanamide (CID 70088687) is N-[1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]-4-methylpentanamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]-4-methylpentanamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]-4-methylpentanamide is COc1cccc(S(=O)(=O)N2CCCC(NC(=O)CCC(C)C)C(=O)C2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]-4-methylpentanamide?
The InChIKey is CHEROHUWCDFZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-14(2)9-10-19(23)20-17-8-5-11-21(13-18(17)22)27(24,25)16-7-4-6-15(12-16)26-3/h4,6-7,12,14,17H,5,8-11,13H2,1-3H3,(H,20,23).
What are the key properties of N-[1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]-4-methylpentanamide?
N-[1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]-4-methylpentanamide has a molecular weight of 396.51 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]-4-methylpentanamide is sourced from PubChem (CID 70088687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).