N-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide

C21H34N4O3S — CID 34674284

IUPACN-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide
SMILESCCCn1c(CCC(=O)N[C@@H](C)CC)nc2cc(S(=O)(=O)N(CC)CC)ccc21
InChIInChI=1S/C21H34N4O3S/c1-6-14-25-19-11-10-17(29(27,28)24(8-3)9-4)15-18(19)23-20(25)12-13-21(26)22-16(5)7-2/h10-11,15-16H,6-9,12-14H2,1-5H3,(H,22,26)/t16-/m0/s1
InChIKeyDQGNAIXTZQXEAW-INIZCTEOSA-N
MW422.60 g/mol
LogP3.32
Rot. Bonds11

About N-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide

N-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide (PubChem CID 34674284) has the molecular formula C21H34N4O3S and a molecular weight of 422.60 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide
PubChem CID34674284
Molecular FormulaC21H34N4O3S
Molecular Weight422.60 g/mol
Exact Mass422.24
IUPAC NameN-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide
SMILESCCCn1c(CCC(=O)N[C@@H](C)CC)nc2cc(S(=O)(=O)N(CC)CC)ccc21
InChIInChI=1S/C21H34N4O3S/c1-6-14-25-19-11-10-17(29(27,28)24(8-3)9-4)15-18(19)23-20(25)12-13-21(26)22-16(5)7-2/h10-11,15-16H,6-9,12-14H2,1-5H3,(H,22,26)/t16-/m0/s1
InChIKeyDQGNAIXTZQXEAW-INIZCTEOSA-N
XLogP3.32
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide
CID 43005366
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-heptan-2-ylpropanamide
CID 42972539
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(2S)-heptan-2-yl]propanamide
CID 29296719
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[(2S)-pentan-2-yl]propanamide
CID 34821944
N-[(2S)-1-aminopropan-2-yl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide;hydrochloride
CID 120509123
3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 26880672
N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 32648596
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide
CID 43005369
N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 112761351
3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(3-imidazol-1-ylpropyl)propanamide
CID 55341704
N-(2-cyclohexylethyl)-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide
CID 39258133
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-heptan-2-ylpropanamide
CID 42977393

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide (CID 34674284) is N-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide is CCCn1c(CCC(=O)N[C@@H](C)CC)nc2cc(S(=O)(=O)N(CC)CC)ccc21.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide?
The InChIKey is DQGNAIXTZQXEAW-INIZCTEOSA-N. The full InChI is InChI=1S/C21H34N4O3S/c1-6-14-25-19-11-10-17(29(27,28)24(8-3)9-4)15-18(19)23-20(25)12-13-21(26)22-16(5)7-2/h10-11,15-16H,6-9,12-14H2,1-5H3,(H,22,26)/t16-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide?
N-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide has a molecular weight of 422.60 g/mol, XLogP of 3.32, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide is sourced from PubChem (CID 34674284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).