N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide

C15H16N2O3S — CID 110909020

IUPACN-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NCc1ccccc1CO
InChIInChI=1S/C15H16N2O3S/c18-10-12-5-2-1-4-11(12)8-16-14(19)9-17-15(20)13-6-3-7-21-13/h1-7,18H,8-10H2,(H,16,19)(H,17,20)
InChIKeyADXDHFHPZKNBFU-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.29
Rot. Bonds6

About N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 110909020) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID110909020
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)NCc1ccccc1CO
InChIInChI=1S/C15H16N2O3S/c18-10-12-5-2-1-4-11(12)8-16-14(19)9-17-15(20)13-6-3-7-21-13/h1-7,18H,8-10H2,(H,16,19)(H,17,20)
InChIKeyADXDHFHPZKNBFU-UHFFFAOYSA-N
XLogP1.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9270265
N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 25105722
N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 25105717
naphthalen-1-ylmethyl 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 3158543
N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18154158
N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]thiophene-2-carboxamide
CID 27227873
N-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 9163386
N-benzylthiophene-2-carboxamide
CID 574227
naphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate
CID 926068
N-[2-[[4-(difluoromethoxy)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 42008667
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 27757083
2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid
CID 66165843

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide (CID 110909020) is N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)NCc1ccccc1CO.
What is the InChIKey of N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is ADXDHFHPZKNBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-10-12-5-2-1-4-11(12)8-16-14(19)9-17-15(20)13-6-3-7-21-13/h1-7,18H,8-10H2,(H,16,19)(H,17,20).
What are the key properties of N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 110909020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).