N-(3-chlorophenyl)-3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propanamide

C19H23ClN2O2S — CID 51861342

IUPACN-(3-chlorophenyl)-3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propanamide
SMILESO=C(CCN(Cc1cccs1)C[C@@H]1CCCO1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O2S/c20-15-4-1-5-16(12-15)21-19(23)8-9-22(13-17-6-2-10-24-17)14-18-7-3-11-25-18/h1,3-5,7,11-12,17H,2,6,8-10,13-14H2,(H,21,23)/t17-/m0/s1
InChIKeyWYVHRHQONGKUAS-KRWDZBQOSA-N
MW378.93 g/mol
LogP4.41
Rot. Bonds8

About N-(3-chlorophenyl)-3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propanamide

N-(3-chlorophenyl)-3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propanamide (PubChem CID 51861342) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propanamide
PubChem CID51861342
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC NameN-(3-chlorophenyl)-3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propanamide
SMILESO=C(CCN(Cc1cccs1)C[C@@H]1CCCO1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O2S/c20-15-4-1-5-16(12-15)21-19(23)8-9-22(13-17-6-2-10-24-17)14-18-7-3-11-25-18/h1,3-5,7,11-12,17H,2,6,8-10,13-14H2,(H,21,23)/t17-/m0/s1
InChIKeyWYVHRHQONGKUAS-KRWDZBQOSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide
CID 51952632
N-(4-chloro-2-methylphenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055323
N-(4-chloro-2-methylphenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055321
N-ethyl-3-[[2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
CID 8926142
N-(3-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055119
N-(3-methylsulfanylphenyl)-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 18197685
N-(2,4-dichlorophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055179
N-(5-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055561
2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(3-sulfamoylphenyl)acetamide
CID 9055285
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055247
N-(3-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133
N-(2,3-dichlorophenyl)-2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055181

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propanamide (CID 51861342) is N-(3-chlorophenyl)-3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propanamide is O=C(CCN(Cc1cccs1)C[C@@H]1CCCO1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propanamide?
The InChIKey is WYVHRHQONGKUAS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c20-15-4-1-5-16(12-15)21-19(23)8-9-22(13-17-6-2-10-24-17)14-18-7-3-11-25-18/h1,3-5,7,11-12,17H,2,6,8-10,13-14H2,(H,21,23)/t17-/m0/s1.
What are the key properties of N-(3-chlorophenyl)-3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propanamide?
N-(3-chlorophenyl)-3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propanamide has a molecular weight of 378.93 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 51861342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).