N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide

C26H29N3O5S — CID 164610189

IUPACN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(-c2cccc(C(=O)Nc3cccc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)c3)c2)cc1
InChIInChI=1S/C26H29N3O5S/c1-17(2)14-24(27)26(31)29-35(32,33)23-9-5-8-21(16-23)28-25(30)20-7-4-6-19(15-20)18-10-12-22(34-3)13-11-18/h4-13,15-17,24H,14,27H2,1-3H3,(H,28,30)(H,29,31)/t24-/m0/s1
InChIKeyOLBHUWXMQXHHLB-DEOSSOPVSA-N
MW495.60 g/mol
LogP3.79
Rot. Bonds9

About N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide

N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide (PubChem CID 164610189) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide
PubChem CID164610189
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(-c2cccc(C(=O)Nc3cccc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)c3)c2)cc1
InChIInChI=1S/C26H29N3O5S/c1-17(2)14-24(27)26(31)29-35(32,33)23-9-5-8-21(16-23)28-25(30)20-7-4-6-19(15-20)18-10-12-22(34-3)13-11-18/h4-13,15-17,24H,14,27H2,1-3H3,(H,28,30)(H,29,31)/t24-/m0/s1
InChIKeyOLBHUWXMQXHHLB-DEOSSOPVSA-N
XLogP3.79
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-phenylbenzamide
CID 164614393
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 164618952
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-2-methylbenzamide
CID 164625109
(2S)-2-amino-N-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpentanamide
CID 122490832
(2S)-2-amino-4-methyl-N-[3-[(2-phenoxyacetyl)amino]phenyl]sulfonylpentanamide
CID 155559842
2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
CID 145138135
3-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 5156929
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
(2S)-N-(3-acetylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide
CID 8572325
N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide
CID 109065294
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide
CID 119870573

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide?
The IUPAC name of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide (CID 164610189) is N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide.
What is the SMILES notation for N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide?
The canonical SMILES for N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide is COc1ccc(-c2cccc(C(=O)Nc3cccc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)c3)c2)cc1.
What is the InChIKey of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide?
The InChIKey is OLBHUWXMQXHHLB-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-17(2)14-24(27)26(31)29-35(32,33)23-9-5-8-21(16-23)28-25(30)20-7-4-6-19(15-20)18-10-12-22(34-3)13-11-18/h4-13,15-17,24H,14,27H2,1-3H3,(H,28,30)(H,29,31)/t24-/m0/s1.
What are the key properties of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide?
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide has a molecular weight of 495.60 g/mol, XLogP of 3.79, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 164610189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).