N-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide

C20H30N4O4S — CID 42989633

IUPACN-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C
InChIInChI=1S/C20H30N4O4S/c1-5-20(2,3)22-19(25)9-8-18-21-16-14-15(6-7-17(16)23(18)4)29(26,27)24-10-12-28-13-11-24/h6-7,14H,5,8-13H2,1-4H3,(H,22,25)
InChIKeyGDNDDYDUJVZPEI-UHFFFAOYSA-N
MW422.55 g/mol
LogP1.83
Rot. Bonds7

About N-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide

N-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide (PubChem CID 42989633) has the molecular formula C20H30N4O4S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
PubChem CID42989633
Molecular FormulaC20H30N4O4S
Molecular Weight422.55 g/mol
Exact Mass422.20
IUPAC NameN-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C
InChIInChI=1S/C20H30N4O4S/c1-5-20(2,3)22-19(25)9-8-18-21-16-14-15(6-7-17(16)23(18)4)29(26,27)24-10-12-28-13-11-24/h6-7,14H,5,8-13H2,1-4H3,(H,22,25)
InChIKeyGDNDDYDUJVZPEI-UHFFFAOYSA-N
XLogP1.83
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-phenylpropanamide
CID 26913601
N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26909373
N-(3,5-dimethoxyphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24688078
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26881337
N-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 43008041
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 43008074
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide
CID 25367955
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(3-methylsulfanylphenyl)propanamide
CID 26086824
N-[3-(dimethylsulfamoyl)phenyl]-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24980417
3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide
CID 24680180
3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(oxan-3-yl)propanamide
CID 56559217
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one
CID 43007385

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide (CID 42989633) is N-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide is CCC(C)(C)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C.
What is the InChIKey of N-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
The InChIKey is GDNDDYDUJVZPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4S/c1-5-20(2,3)22-19(25)9-8-18-21-16-14-15(6-7-17(16)23(18)4)29(26,27)24-10-12-28-13-11-24/h6-7,14H,5,8-13H2,1-4H3,(H,22,25).
What are the key properties of N-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide?
N-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide has a molecular weight of 422.55 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 42989633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).