(2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(4-sulfamoylphenyl)propanamide

C19H20N4O3S2 — CID 25385544

IUPAC(2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(4-sulfamoylphenyl)propanamide
SMILESCc1nc(-c2cccc(N[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2)cs1
InChIInChI=1S/C19H20N4O3S2/c1-12(19(24)23-15-6-8-17(9-7-15)28(20,25)26)21-16-5-3-4-14(10-16)18-11-27-13(2)22-18/h3-12,21H,1-2H3,(H,23,24)(H2,20,25,26)/t12-/m1/s1
InChIKeyYRKFXYSFJPFSOD-GFCCVEGCSA-N
MW416.53 g/mol
LogP3.21
Rot. Bonds6

About (2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(4-sulfamoylphenyl)propanamide

(2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 25385544) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is (2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(4-sulfamoylphenyl)propanamide
PubChem CID25385544
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC Name(2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(4-sulfamoylphenyl)propanamide
SMILESCc1nc(-c2cccc(N[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2)cs1
InChIInChI=1S/C19H20N4O3S2/c1-12(19(24)23-15-6-8-17(9-7-15)28(20,25)26)21-16-5-3-4-14(10-16)18-11-27-13(2)22-18/h3-12,21H,1-2H3,(H,23,24)(H2,20,25,26)/t12-/m1/s1
InChIKeyYRKFXYSFJPFSOD-GFCCVEGCSA-N
XLogP3.21
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 24561871
(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25407937
2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 43699209
(2R)-2-(naphthalen-2-ylamino)-N-(4-sulfamoylphenyl)propanamide
CID 7775072
2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42911852
2-amino-3,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 76887854
2-(3,5-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42912015
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 47018344
(2S)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 25342725
(2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25376034

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(4-sulfamoylphenyl)propanamide (CID 25385544) is (2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(4-sulfamoylphenyl)propanamide is Cc1nc(-c2cccc(N[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2)cs1.
What is the InChIKey of (2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is YRKFXYSFJPFSOD-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-12(19(24)23-15-6-8-17(9-7-15)28(20,25)26)21-16-5-3-4-14(10-16)18-11-27-13(2)22-18/h3-12,21H,1-2H3,(H,23,24)(H2,20,25,26)/t12-/m1/s1.
What are the key properties of (2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(4-sulfamoylphenyl)propanamide?
(2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 416.53 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 25385544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).