3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide

C25H32N4O4S — CID 25367955

IUPAC3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide
SMILESCC(C)[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)c1ccccc1
InChIInChI=1S/C25H32N4O4S/c1-18(2)25(19-7-5-4-6-8-19)27-24(30)12-11-23-26-21-17-20(9-10-22(21)28(23)3)34(31,32)29-13-15-33-16-14-29/h4-10,17-18,25H,11-16H2,1-3H3,(H,27,30)/t25-/m0/s1
InChIKeyHOICDZZRFOMMDX-VWLOTQADSA-N
MW484.62 g/mol
LogP3.04
Rot. Bonds8

About 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide

3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide (PubChem CID 25367955) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide.

Molecular Properties

Compound Name3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide
PubChem CID25367955
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC Name3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide
SMILESCC(C)[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)c1ccccc1
InChIInChI=1S/C25H32N4O4S/c1-18(2)25(19-7-5-4-6-8-19)27-24(30)12-11-23-26-21-17-20(9-10-22(21)28(23)3)34(31,32)29-13-15-33-16-14-29/h4-10,17-18,25H,11-16H2,1-3H3,(H,27,30)/t25-/m0/s1
InChIKeyHOICDZZRFOMMDX-VWLOTQADSA-N
XLogP3.04
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.04
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-methylbutan-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 42989633
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 43008074
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
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-(3-methylsulfanylphenyl)propanamide
CID 26086824
N-(2-methylcyclohexyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 43008041
N-[3-(dimethylsulfamoyl)phenyl]-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24980417
3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 43005992
3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-pentan-3-ylpropanamide
CID 24680180
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one
CID 43007385
1-(2,3-dihydroindol-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one
CID 43007391

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide?
The IUPAC name of 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide (CID 25367955) is 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide.
What is the SMILES notation for 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide?
The canonical SMILES for 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide is CC(C)[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C)c1ccccc1.
What is the InChIKey of 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide?
The InChIKey is HOICDZZRFOMMDX-VWLOTQADSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-18(2)25(19-7-5-4-6-8-19)27-24(30)12-11-23-26-21-17-20(9-10-22(21)28(23)3)34(31,32)29-13-15-33-16-14-29/h4-10,17-18,25H,11-16H2,1-3H3,(H,27,30)/t25-/m0/s1.
What are the key properties of 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide?
3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide has a molecular weight of 484.62 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)-N-[(1S)-2-methyl-1-phenylpropyl]propanamide is sourced from PubChem (CID 25367955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).