5-ethyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)thiophene-2-sulfonamide

C16H19N3O2S2 — CID 110779086

IUPAC5-ethyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc3nc(C(C)C)[nH]c3c2)s1
InChIInChI=1S/C16H19N3O2S2/c1-4-12-6-8-15(22-12)23(20,21)19-11-5-7-13-14(9-11)18-16(17-13)10(2)3/h5-10,19H,4H2,1-3H3,(H,17,18)
InChIKeyPYMXJLLSISHYDD-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.11
Rot. Bonds5

About 5-ethyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)thiophene-2-sulfonamide

5-ethyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)thiophene-2-sulfonamide (PubChem CID 110779086) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 5-ethyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)thiophene-2-sulfonamide
PubChem CID110779086
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC Name5-ethyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc3nc(C(C)C)[nH]c3c2)s1
InChIInChI=1S/C16H19N3O2S2/c1-4-12-6-8-15(22-12)23(20,21)19-11-5-7-13-14(9-11)18-16(17-13)10(2)3/h5-10,19H,4H2,1-3H3,(H,17,18)
InChIKeyPYMXJLLSISHYDD-UHFFFAOYSA-N
XLogP4.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide
CID 110724387
5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide
CID 110729074
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
3-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110779087
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide
CID 110721865
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
N-(4-amino-3-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 54984022
5-ethyl-N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 61454703
N-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide
CID 61454557
N-(3-amino-4-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454417
N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 113098917

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)thiophene-2-sulfonamide (CID 110779086) is 5-ethyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc3nc(C(C)C)[nH]c3c2)s1.
What is the InChIKey of 5-ethyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is PYMXJLLSISHYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c1-4-12-6-8-15(22-12)23(20,21)19-11-5-7-13-14(9-11)18-16(17-13)10(2)3/h5-10,19H,4H2,1-3H3,(H,17,18).
What are the key properties of 5-ethyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)thiophene-2-sulfonamide?
5-ethyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 349.48 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 110779086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).