N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide

C15H19N3O3S2 — CID 17412659

IUPACN-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1
InChIInChI=1S/C15H19N3O3S2/c1-4-5-14(19)17-15-16-13(10-22-15)11-6-8-12(9-7-11)18(2)23(3,20)21/h6-10H,4-5H2,1-3H3,(H,16,17,19)
InChIKeyDKBLVFNRVFFZSK-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.94
Rot. Bonds6

About N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide

N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide (PubChem CID 17412659) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide
PubChem CID17412659
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC NameN-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1
InChIInChI=1S/C15H19N3O3S2/c1-4-5-14(19)17-15-16-13(10-22-15)11-6-8-12(9-7-11)18(2)23(3,20)21/h6-10H,4-5H2,1-3H3,(H,16,17,19)
InChIKeyDKBLVFNRVFFZSK-UHFFFAOYSA-N
XLogP2.94
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-3-(2-nitroanilino)propanamide
CID 16962930
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
CID 3681052
N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 42887046
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
2,6-dimethyl-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide
CID 24563011
4-[5-[2-(butanoylamino)-1,3-thiazol-4-yl]thiophen-2-yl]benzoic acid
CID 35271878
6-methoxy-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide
CID 24586544
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] butanoate
CID 2629045
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]butanamide
CID 1458429

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide (CID 17412659) is N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide is CCCC(=O)Nc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1.
What is the InChIKey of N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is DKBLVFNRVFFZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c1-4-5-14(19)17-15-16-13(10-22-15)11-6-8-12(9-7-11)18(2)23(3,20)21/h6-10H,4-5H2,1-3H3,(H,16,17,19).
What are the key properties of N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide?
N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 353.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 17412659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).