(3S)-3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide

C19H22N4O2S — CID 25325085

IUPAC(3S)-3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide
SMILESCCCn1c(NC(=O)C[C@H](NC(C)=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C19H22N4O2S/c1-3-10-23-16-8-5-4-7-14(16)21-19(23)22-18(25)12-15(20-13(2)24)17-9-6-11-26-17/h4-9,11,15H,3,10,12H2,1-2H3,(H,20,24)(H,21,22,25)/t15-/m0/s1
InChIKeyLRGXWYSLEBGOAU-HNNXBMFYSA-N
MW370.48 g/mol
LogP3.71
Rot. Bonds7

About (3S)-3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide

(3S)-3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide (PubChem CID 25325085) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is (3S)-3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide
PubChem CID25325085
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name(3S)-3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide
SMILESCCCn1c(NC(=O)C[C@H](NC(C)=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C19H22N4O2S/c1-3-10-23-16-8-5-4-7-14(16)21-19(23)22-18(25)12-15(20-13(2)24)17-9-6-11-26-17/h4-9,11,15H,3,10,12H2,1-2H3,(H,20,24)(H,21,22,25)/t15-/m0/s1
InChIKeyLRGXWYSLEBGOAU-HNNXBMFYSA-N
XLogP3.71
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide
CID 17491078
(E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 8914471
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
2-(2-oxoquinoxalin-1-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 16585553
N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27134350
4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide
CID 30178636
3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide
CID 51309268
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168
2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide
CID 119265100
(3R)-3-acetamido-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 31040358
3-amino-N-(1-ethylbenzimidazol-2-yl)butanamide
CID 119678530

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide?
The IUPAC name of (3S)-3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide (CID 25325085) is (3S)-3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (3S)-3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for (3S)-3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide is CCCn1c(NC(=O)C[C@H](NC(C)=O)c2cccs2)nc2ccccc21.
What is the InChIKey of (3S)-3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide?
The InChIKey is LRGXWYSLEBGOAU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-3-10-23-16-8-5-4-7-14(16)21-19(23)22-18(25)12-15(20-13(2)24)17-9-6-11-26-17/h4-9,11,15H,3,10,12H2,1-2H3,(H,20,24)(H,21,22,25)/t15-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide?
(3S)-3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide has a molecular weight of 370.48 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 25325085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).