N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide

C16H22N2O3S2 — CID 108782409

IUPACN-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1nc(-c2ccc(OC)c(C)c2)c(C)s1
InChIInChI=1S/C16H22N2O3S2/c1-5-6-9-23(19,20)18-16-17-15(12(3)22-16)13-7-8-14(21-4)11(2)10-13/h7-8,10H,5-6,9H2,1-4H3,(H,17,18)
InChIKeyWENVJDNKMWSKBW-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.98
Rot. Bonds7

About N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide

N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide (PubChem CID 108782409) has the molecular formula C16H22N2O3S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide
PubChem CID108782409
Molecular FormulaC16H22N2O3S2
Molecular Weight354.50 g/mol
Exact Mass354.11
IUPAC NameN-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1nc(-c2ccc(OC)c(C)c2)c(C)s1
InChIInChI=1S/C16H22N2O3S2/c1-5-6-9-23(19,20)18-16-17-15(12(3)22-16)13-7-8-14(21-4)11(2)10-13/h7-8,10H,5-6,9H2,1-4H3,(H,17,18)
InChIKeyWENVJDNKMWSKBW-UHFFFAOYSA-N
XLogP3.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 108782420
N-butyl-4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 52794394
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 48998332
2,2,2-trichloro-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 108738227
ethyl [4-[[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenyl] carbonate
CID 108761038
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 108761148
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
CID 108738339
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 108810237
(E)-3-(4-ethoxyphenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 108761118
4-(4-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 108738324
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108738200
4-(4-methoxy-3-methylphenyl)-5-methyl-N-(6-phenylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 108775694

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide?
The IUPAC name of N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide (CID 108782409) is N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide?
The canonical SMILES for N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1nc(-c2ccc(OC)c(C)c2)c(C)s1.
What is the InChIKey of N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide?
The InChIKey is WENVJDNKMWSKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S2/c1-5-6-9-23(19,20)18-16-17-15(12(3)22-16)13-7-8-14(21-4)11(2)10-13/h7-8,10H,5-6,9H2,1-4H3,(H,17,18).
What are the key properties of N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide?
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide has a molecular weight of 354.50 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide is sourced from PubChem (CID 108782409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).