2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide

C15H22N4O3S2 — CID 46624030

IUPAC2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)Sc1nc2cc(S(N)(=O)=O)ccc2n1CC
InChIInChI=1S/C15H22N4O3S2/c1-4-8-17-14(20)10(3)23-15-18-12-9-11(24(16,21)22)6-7-13(12)19(15)5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,20)(H2,16,21,22)
InChIKeyQLJRLSLLMGQBKX-UHFFFAOYSA-N
MW370.50 g/mol
LogP1.71
Rot. Bonds7

About 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide

2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide (PubChem CID 46624030) has the molecular formula C15H22N4O3S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide.

Molecular Properties

Compound Name2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide
PubChem CID46624030
Molecular FormulaC15H22N4O3S2
Molecular Weight370.50 g/mol
Exact Mass370.11
IUPAC Name2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)Sc1nc2cc(S(N)(=O)=O)ccc2n1CC
InChIInChI=1S/C15H22N4O3S2/c1-4-8-17-14(20)10(3)23-15-18-12-9-11(24(16,21)22)6-7-13(12)19(15)5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,20)(H2,16,21,22)
InChIKeyQLJRLSLLMGQBKX-UHFFFAOYSA-N
XLogP1.71
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 40657581
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide
CID 7488097
N-[(3,4-dimethoxyphenyl)methyl]-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylpropanamide
CID 46624032
1-ethyl-2-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylbenzimidazole-5-sulfonamide
CID 40657595
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylpropanamide
CID 41169277
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylpropanamide
CID 41169274
N-[4-[2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylpropanoyl]phenyl]acetamide
CID 42915937
(2R)-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
CID 35285831
(2S)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylpropanamide
CID 25399273
(2S)-N-(tert-butylcarbamoyl)-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylpropanamide
CID 27964378
methyl 2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanylpropanoate
CID 42971502
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7480908

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide?
The IUPAC name of 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide (CID 46624030) is 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide.
What is the SMILES notation for 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide?
The canonical SMILES for 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide is CCCNC(=O)C(C)Sc1nc2cc(S(N)(=O)=O)ccc2n1CC.
What is the InChIKey of 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide?
The InChIKey is QLJRLSLLMGQBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S2/c1-4-8-17-14(20)10(3)23-15-18-12-9-11(24(16,21)22)6-7-13(12)19(15)5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,20)(H2,16,21,22).
What are the key properties of 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide?
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide has a molecular weight of 370.50 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylpropanamide is sourced from PubChem (CID 46624030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).