(2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide

C16H15N3O3S3 — CID 92715878

IUPAC(2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(Nc1nccs1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C16H15N3O3S3/c20-15(18-16-17-8-10-24-16)13(11-12-5-2-1-3-6-12)19-25(21,22)14-7-4-9-23-14/h1-10,13,19H,11H2,(H,17,18,20)/t13-/m0/s1
InChIKeyLIOJCEFTBMYCAC-ZDUSSCGKSA-N
MW393.52 g/mol
LogP2.73
Rot. Bonds7

About (2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide

(2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 92715878) has the molecular formula C16H15N3O3S3 and a molecular weight of 393.52 g/mol. Its IUPAC name is (2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound Name(2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID92715878
Molecular FormulaC16H15N3O3S3
Molecular Weight393.52 g/mol
Exact Mass393.03
IUPAC Name(2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(Nc1nccs1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C16H15N3O3S3/c20-15(18-16-17-8-10-24-16)13(11-12-5-2-1-3-6-12)19-25(21,22)14-7-4-9-23-14/h1-10,13,19H,11H2,(H,17,18,20)/t13-/m0/s1
InChIKeyLIOJCEFTBMYCAC-ZDUSSCGKSA-N
XLogP2.73
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46361169
N-(2-fluorophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 15998707
(2S)-N-(3,5-dimethylphenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92726709
3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(2,4,6-trimethylphenyl)propanamide
CID 46361165
N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 22422631
N-(3-chlorophenyl)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 15995135
(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 92502327
3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 169288578
(2R)-N-[(4-chlorophenyl)methyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 92714827
(2S)-N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 124772972
benzyl N-[4-methylsulfonyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]carbamate
CID 55787359
(2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 2118573

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of (2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide (CID 92715878) is (2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for (2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for (2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide is O=C(Nc1nccs1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1.
What is the InChIKey of (2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is LIOJCEFTBMYCAC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H15N3O3S3/c20-15(18-16-17-8-10-24-16)13(11-12-5-2-1-3-6-12)19-25(21,22)14-7-4-9-23-14/h1-10,13,19H,11H2,(H,17,18,20)/t13-/m0/s1.
What are the key properties of (2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide?
(2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 393.52 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-N-(1,3-thiazol-2-yl)-2-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 92715878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).