3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide

C16H22N4O4S — CID 124758885

IUPAC3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide
SMILESCS(=O)(=O)N1CCO[C@@H](CNC(=O)CCn2cnc3ccccc32)C1
InChIInChI=1S/C16H22N4O4S/c1-25(22,23)20-8-9-24-13(11-20)10-17-16(21)6-7-19-12-18-14-4-2-3-5-15(14)19/h2-5,12-13H,6-11H2,1H3,(H,17,21)/t13-/m0/s1
InChIKeyZUFVWGYCBNAKGK-ZDUSSCGKSA-N
MW366.44 g/mol
LogP0.20
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide

3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide (PubChem CID 124758885) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide
PubChem CID124758885
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide
SMILESCS(=O)(=O)N1CCO[C@@H](CNC(=O)CCn2cnc3ccccc32)C1
InChIInChI=1S/C16H22N4O4S/c1-25(22,23)20-8-9-24-13(11-20)10-17-16(21)6-7-19-12-18-14-4-2-3-5-15(14)19/h2-5,12-13H,6-11H2,1H3,(H,17,21)/t13-/m0/s1
InChIKeyZUFVWGYCBNAKGK-ZDUSSCGKSA-N
XLogP0.20
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]propanamide
CID 39460836
2-(2,3-dihydro-1H-inden-2-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]acetamide
CID 124754537
3-cyclopentyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]propanamide
CID 56750918
2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide
CID 33487644
3-(benzimidazol-1-yl)-N-[2-(cycloheptylamino)ethyl]propanamide;dihydrochloride
CID 119619800
N-[(2-fluorophenyl)methyl]-2-[(4-methylsulfonylmorpholin-2-yl)methylamino]acetamide
CID 50979216
(4aR,8aR)-2-[2-(benzimidazol-1-yl)ethyl]-7-methylsulfonyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-4a-ol
CID 72939058
N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70709161
N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 95862912
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 74250803

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide (CID 124758885) is 3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide is CS(=O)(=O)N1CCO[C@@H](CNC(=O)CCn2cnc3ccccc32)C1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide?
The InChIKey is ZUFVWGYCBNAKGK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-25(22,23)20-8-9-24-13(11-20)10-17-16(21)6-7-19-12-18-14-4-2-3-5-15(14)19/h2-5,12-13H,6-11H2,1H3,(H,17,21)/t13-/m0/s1.
What are the key properties of 3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide?
3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide has a molecular weight of 366.44 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide is sourced from PubChem (CID 124758885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).