N-benzyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylthiophene-3-sulfonamide

C18H20N2O2S3 — CID 50835853

IUPACN-benzyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylthiophene-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)N(C)Cc3ccccc3)c(C)s2)sc1C
InChIInChI=1S/C18H20N2O2S3/c1-12-13(2)24-18(19-12)16-10-17(14(3)23-16)25(21,22)20(4)11-15-8-6-5-7-9-15/h5-10H,11H2,1-4H3
InChIKeyIJOLNUZCQVSQPF-UHFFFAOYSA-N
MW392.57 g/mol
LogP4.62
Rot. Bonds5

About N-benzyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylthiophene-3-sulfonamide

N-benzyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylthiophene-3-sulfonamide (PubChem CID 50835853) has the molecular formula C18H20N2O2S3 and a molecular weight of 392.57 g/mol. Its IUPAC name is N-benzyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-benzyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylthiophene-3-sulfonamide
PubChem CID50835853
Molecular FormulaC18H20N2O2S3
Molecular Weight392.57 g/mol
Exact Mass392.07
IUPAC NameN-benzyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylthiophene-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)N(C)Cc3ccccc3)c(C)s2)sc1C
InChIInChI=1S/C18H20N2O2S3/c1-12-13(2)24-18(19-12)16-10-17(14(3)23-16)25(21,22)20(4)11-15-8-6-5-7-9-15/h5-10H,11H2,1-4H3
InChIKeyIJOLNUZCQVSQPF-UHFFFAOYSA-N
XLogP4.62
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-(2-phenylpropyl)thiophene-3-sulfonamide
CID 50835080
5-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethylphenyl)-2-methylthiophene-3-sulfonamide
CID 50835162
N,2,5-trimethyl-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 47020938
N-benzyl-N,5-dimethyl-1,3,4-thiadiazole-2-sulfonamide
CID 102297761
N-benzyl-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 42283150
N-(2-ethylphenyl)-N,2-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835681
2-amino-N-benzyl-4-methoxy-N-methylbenzenesulfonamide
CID 29278456
N-benzyl-2-methoxy-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036299
2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride
CID 69275017
4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide
CID 43256233
5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide
CID 43256238
N-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide
CID 175262057

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-benzyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylthiophene-3-sulfonamide (CID 50835853) is N-benzyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-benzyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-benzyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylthiophene-3-sulfonamide is Cc1nc(-c2cc(S(=O)(=O)N(C)Cc3ccccc3)c(C)s2)sc1C.
What is the InChIKey of N-benzyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylthiophene-3-sulfonamide?
The InChIKey is IJOLNUZCQVSQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S3/c1-12-13(2)24-18(19-12)16-10-17(14(3)23-16)25(21,22)20(4)11-15-8-6-5-7-9-15/h5-10H,11H2,1-4H3.
What are the key properties of N-benzyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylthiophene-3-sulfonamide?
N-benzyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylthiophene-3-sulfonamide has a molecular weight of 392.57 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 50835853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).