5-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide

C16H19N3O2S2 — CID 110711996

IUPAC5-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2nc3ccccc3n2C)s1
InChIInChI=1S/C16H19N3O2S2/c1-3-12-8-9-16(22-12)23(20,21)17-11-10-15-18-13-6-4-5-7-14(13)19(15)2/h4-9,17H,3,10-11H2,1-2H3
InChIKeyIZIIOCIRRJLXQN-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.72
Rot. Bonds6

About 5-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide

5-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110711996) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 5-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110711996
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC Name5-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCc2nc3ccccc3n2C)s1
InChIInChI=1S/C16H19N3O2S2/c1-3-12-8-9-16(22-12)23(20,21)17-11-10-15-18-13-6-4-5-7-14(13)19(15)2/h4-9,17H,3,10-11H2,1-2H3
InChIKeyIZIIOCIRRJLXQN-UHFFFAOYSA-N
XLogP2.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 110711995
2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 110712008
4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 46969297
5-ethyl-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 87031963
5-ethyl-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 110602852
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 18197789
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
5-ethyl-N-[3-(4-hydroxyphenyl)propyl]thiophene-2-sulfonamide
CID 110423618
5-ethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 42389169
1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine
CID 83961987

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide (CID 110711996) is 5-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCc2nc3ccccc3n2C)s1.
What is the InChIKey of 5-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is IZIIOCIRRJLXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c1-3-12-8-9-16(22-12)23(20,21)17-11-10-15-18-13-6-4-5-7-14(13)19(15)2/h4-9,17H,3,10-11H2,1-2H3.
What are the key properties of 5-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide?
5-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 349.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110711996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).