N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-3-thiophen-2-ylpropanamide

C13H16N2O3S3 — CID 71981735

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-3-thiophen-2-ylpropanamide
SMILESCc1nc(C)c(S(=O)(=O)NC(=O)C(C)Cc2cccs2)s1
InChIInChI=1S/C13H16N2O3S3/c1-8(7-11-5-4-6-19-11)12(16)15-21(17,18)13-9(2)14-10(3)20-13/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyLIAWZWKBLFFNJG-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.51
Rot. Bonds5

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-3-thiophen-2-ylpropanamide

N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-3-thiophen-2-ylpropanamide (PubChem CID 71981735) has the molecular formula C13H16N2O3S3 and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-3-thiophen-2-ylpropanamide
PubChem CID71981735
Molecular FormulaC13H16N2O3S3
Molecular Weight344.48 g/mol
Exact Mass344.03
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-3-thiophen-2-ylpropanamide
SMILESCc1nc(C)c(S(=O)(=O)NC(=O)C(C)Cc2cccs2)s1
InChIInChI=1S/C13H16N2O3S3/c1-8(7-11-5-4-6-19-11)12(16)15-21(17,18)13-9(2)14-10(3)20-13/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyLIAWZWKBLFFNJG-UHFFFAOYSA-N
XLogP2.51
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methylthiophene-2-carboxamide
CID 71981731
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-[(S)-methylsulfinyl]benzamide
CID 96824693
N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-(2-methylphenoxy)acetamide
CID 91643890
N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopent-3-ene-1-carboxamide
CID 71981730
2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide
CID 99813507
2-[(2-methyl-3-sulfanylpropanoyl)amino]-3-thiophen-2-ylpropanoic acid
CID 23321929
2,2-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide
CID 71981736
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432807
N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoro-3-(propan-2-yloxymethyl)benzamide
CID 91643878
N-propan-2-yl-2-(1-thiophen-2-ylpropan-2-ylamino)propanamide
CID 63291724
2-methyl-N-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)-3-thiophen-2-ylpropanamide
CID 167825486

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-3-thiophen-2-ylpropanamide (CID 71981735) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-3-thiophen-2-ylpropanamide is Cc1nc(C)c(S(=O)(=O)NC(=O)C(C)Cc2cccs2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-3-thiophen-2-ylpropanamide?
The InChIKey is LIAWZWKBLFFNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S3/c1-8(7-11-5-4-6-19-11)12(16)15-21(17,18)13-9(2)14-10(3)20-13/h4-6,8H,7H2,1-3H3,(H,15,16).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-3-thiophen-2-ylpropanamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-3-thiophen-2-ylpropanamide has a molecular weight of 344.48 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 71981735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).