N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide

C22H29N3O7S — CID 164618952

IUPACN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C22H29N3O7S/c1-13(2)9-17(23)22(27)25-33(28,29)16-8-6-7-15(12-16)24-21(26)14-10-18(30-3)20(32-5)19(11-14)31-4/h6-8,10-13,17H,9,23H2,1-5H3,(H,24,26)(H,25,27)/t17-/m0/s1
InChIKeyGZFRPJPZSHGFAV-KRWDZBQOSA-N
MW479.56 g/mol
LogP2.14
Rot. Bonds10

About N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide

N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 164618952) has the molecular formula C22H29N3O7S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID164618952
Molecular FormulaC22H29N3O7S
Molecular Weight479.56 g/mol
Exact Mass479.17
IUPAC NameN-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)c2)cc(OC)c1OC
InChIInChI=1S/C22H29N3O7S/c1-13(2)9-17(23)22(27)25-33(28,29)16-8-6-7-15(12-16)24-21(26)14-10-18(30-3)20(32-5)19(11-14)31-4/h6-8,10-13,17H,9,23H2,1-5H3,(H,24,26)(H,25,27)/t17-/m0/s1
InChIKeyGZFRPJPZSHGFAV-KRWDZBQOSA-N
XLogP2.14
TPSA146.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide
CID 164610189
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-phenylbenzamide
CID 164614393
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-2-methylbenzamide
CID 164625109
(2S)-2-amino-4-methyl-N-[3-[(2-phenoxyacetyl)amino]phenyl]sulfonylpentanamide
CID 155559842
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 24710340
3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687
3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide
CID 9413012
(2S)-2-amino-N-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpentanamide
CID 122490832
3,4,5-trimethoxy-N-(3-phenylphenyl)sulfonylbenzamide
CID 91328901
3,5-dimethoxy-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 4241240
3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide
CID 26252009

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide (CID 164618952) is N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cccc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)c2)cc(OC)c1OC.
What is the InChIKey of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is GZFRPJPZSHGFAV-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H29N3O7S/c1-13(2)9-17(23)22(27)25-33(28,29)16-8-6-7-15(12-16)24-21(26)14-10-18(30-3)20(32-5)19(11-14)31-4/h6-8,10-13,17H,9,23H2,1-5H3,(H,24,26)(H,25,27)/t17-/m0/s1.
What are the key properties of N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide?
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 479.56 g/mol, XLogP of 2.14, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 164618952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).