N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide

C16H18N2O3S — CID 111471983

IUPACN-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NCCC(O)c1ccccc1
InChIInChI=1S/C16H18N2O3S/c19-13(12-5-2-1-3-6-12)8-9-17-15(20)11-18-16(21)14-7-4-10-22-14/h1-7,10,13,19H,8-9,11H2,(H,17,20)(H,18,21)
InChIKeyDLOHDARIPJHWPI-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.72
Rot. Bonds7

About N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 111471983) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID111471983
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NCCC(O)c1ccccc1
InChIInChI=1S/C16H18N2O3S/c19-13(12-5-2-1-3-6-12)8-9-17-15(20)11-18-16(21)14-7-4-10-22-14/h1-7,10,13,19H,8-9,11H2,(H,17,20)(H,18,21)
InChIKeyDLOHDARIPJHWPI-UHFFFAOYSA-N
XLogP1.72
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-4-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid
CID 107834928
N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide
CID 26444525
2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid
CID 66165843
N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide
CID 80506792
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide
CID 90524337
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea
CID 96566343
1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea
CID 96566342
N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide
CID 940351
N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 41306986
(2R)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 107563695

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 111471983) is N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)NCCC(O)c1ccccc1.
What is the InChIKey of N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is DLOHDARIPJHWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c19-13(12-5-2-1-3-6-12)8-9-17-15(20)11-18-16(21)14-7-4-10-22-14/h1-7,10,13,19H,8-9,11H2,(H,17,20)(H,18,21).
What are the key properties of N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 111471983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).