(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide

C22H24N2O6S2 — CID 92502327

IUPAC(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)cc(OC)c1OC
InChIInChI=1S/C22H24N2O6S2/c1-28-18-13-16(14-19(29-2)21(18)30-3)23-22(25)17(12-15-8-5-4-6-9-15)24-32(26,27)20-10-7-11-31-20/h4-11,13-14,17,24H,12H2,1-3H3,(H,23,25)/t17-/m0/s1
InChIKeyUNIBAMNYMWTYHV-KRWDZBQOSA-N
MW476.58 g/mol
LogP3.30
Rot. Bonds10

About (2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide

(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 92502327) has the molecular formula C22H24N2O6S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is (2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID92502327
Molecular FormulaC22H24N2O6S2
Molecular Weight476.58 g/mol
Exact Mass476.11
IUPAC Name(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)cc(OC)c1OC
InChIInChI=1S/C22H24N2O6S2/c1-28-18-13-16(14-19(29-2)21(18)30-3)23-22(25)17(12-15-8-5-4-6-9-15)24-32(26,27)20-10-7-11-31-20/h4-11,13-14,17,24H,12H2,1-3H3,(H,23,25)/t17-/m0/s1
InChIKeyUNIBAMNYMWTYHV-KRWDZBQOSA-N
XLogP3.30
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92726709
N-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46361169
N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 36670866
N-(3-chlorophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 15995135
(2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 30475898
3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide
CID 46361165
N-(2-fluorophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 15998707
(2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92715878
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3,5-dimethylphenyl)-3-phenylpropanamide
CID 28538298
(2R)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N,3-diphenylpropanamide
CID 28541649
(2R)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538432
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55911805

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of (2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide (CID 92502327) is (2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for (2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccs2)cc(OC)c1OC.
What is the InChIKey of (2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is UNIBAMNYMWTYHV-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N2O6S2/c1-28-18-13-16(14-19(29-2)21(18)30-3)23-22(25)17(12-15-8-5-4-6-9-15)24-32(26,27)20-10-7-11-31-20/h4-11,13-14,17,24H,12H2,1-3H3,(H,23,25)/t17-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide?
(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 476.58 g/mol, XLogP of 3.30, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 92502327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).