N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-[(2R)-oxolan-2-yl]acetamide

C17H18ClNO2S — CID 94663590

IUPACN-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-[(2R)-oxolan-2-yl]acetamide
SMILESO=C(C[C@H]1CCCO1)N[C@@H](c1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C17H18ClNO2S/c18-14-5-3-12(4-6-14)17(13-7-9-22-11-13)19-16(20)10-15-2-1-8-21-15/h3-7,9,11,15,17H,1-2,8,10H2,(H,19,20)/t15-,17+/m1/s1
InChIKeyCHXQQUMSOCLKAS-WBVHZDCISA-N
MW335.86 g/mol
LogP4.18
Rot. Bonds5

About N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-[(2R)-oxolan-2-yl]acetamide

N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-[(2R)-oxolan-2-yl]acetamide (PubChem CID 94663590) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-[(2R)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-[(2R)-oxolan-2-yl]acetamide
PubChem CID94663590
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC NameN-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-[(2R)-oxolan-2-yl]acetamide
SMILESO=C(C[C@H]1CCCO1)N[C@@H](c1ccc(Cl)cc1)c1ccsc1
InChIInChI=1S/C17H18ClNO2S/c18-14-5-3-12(4-6-14)17(13-7-9-22-11-13)19-16(20)10-15-2-1-8-21-15/h3-7,9,11,15,17H,1-2,8,10H2,(H,19,20)/t15-,17+/m1/s1
InChIKeyCHXQQUMSOCLKAS-WBVHZDCISA-N
XLogP4.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Proline scaffold, 24
CID 42618122
2-(4-chlorophenyl)-N-(3-ethoxypropyl)-2-[(thien-2-ylacetyl)amino]acetamide
CID 4387070
Proline scaffold, 4
CID 42618102
2-(4-Chlorophenyl)-2-{2-acetamido-N-[(thiophen-2-YL)methyl]acetamido}-N-(3-ethoxypropyl)acetamide
CID 12005059
Ethyl 3-(2-chlorophenyl)-3-[(thien-2-ylacetyl)amino]propanoate
CID 5036937
N-(4-chlorophenethyl)-4-(2-thienyl)tetrahydro-2H-pyran-4-carboxamide
CID 7243532
N-[(4-Chlorophenyl)methyl]-4-(thiophen-2-YL)oxane-4-carboxamide
CID 7243516
3-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
CID 42936617
4-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 134790940
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 4256011
(Z)-3-chloro-2-(oxolan-2-ylmethyl)-3-phenyl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 154711917
3-(3-chloro-4-fluorophenyl)-N-[(oxan-4-yl)(thiophen-2-yl)methyl]propanamide
CID 126853655

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-[(2R)-oxolan-2-yl]acetamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-[(2R)-oxolan-2-yl]acetamide (CID 94663590) is N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-[(2R)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-[(2R)-oxolan-2-yl]acetamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-[(2R)-oxolan-2-yl]acetamide is O=C(C[C@H]1CCCO1)N[C@@H](c1ccc(Cl)cc1)c1ccsc1.
What is the InChIKey of N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-[(2R)-oxolan-2-yl]acetamide?
The InChIKey is CHXQQUMSOCLKAS-WBVHZDCISA-N. The full InChI is InChI=1S/C17H18ClNO2S/c18-14-5-3-12(4-6-14)17(13-7-9-22-11-13)19-16(20)10-15-2-1-8-21-15/h3-7,9,11,15,17H,1-2,8,10H2,(H,19,20)/t15-,17+/m1/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-[(2R)-oxolan-2-yl]acetamide?
N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-[(2R)-oxolan-2-yl]acetamide has a molecular weight of 335.86 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-chlorophenyl)-thiophen-3-ylmethyl]-2-[(2R)-oxolan-2-yl]acetamide is sourced from PubChem (CID 94663590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).