N-benzyl-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide

C20H19NO3S — CID 25246361

IUPACN-benzyl-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2)Cc2cccs2)c(O)c1
InChIInChI=1S/C20H19NO3S/c1-24-16-9-10-18(19(22)12-16)20(23)21(14-17-8-5-11-25-17)13-15-6-3-2-4-7-15/h2-12,22H,13-14H2,1H3
InChIKeyPNHOLXUSSMMJRD-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.30
Rot. Bonds6

About N-benzyl-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide

N-benzyl-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 25246361) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-benzyl-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID25246361
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-benzyl-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2)Cc2cccs2)c(O)c1
InChIInChI=1S/C20H19NO3S/c1-24-16-9-10-18(19(22)12-16)20(23)21(14-17-8-5-11-25-17)13-15-6-3-2-4-7-15/h2-12,22H,13-14H2,1H3
InChIKeyPNHOLXUSSMMJRD-UHFFFAOYSA-N
XLogP4.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 18111710
N-(furan-2-ylmethyl)-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 2099188
[3-(Benzenesulfonyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 44589962
(2,4-Dihydroxyphenyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 44590005
N-(3-Hydroxybenzyl)-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 56934324
Parp1-IN-5
CID 162370709
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]chromen-4-one
CID 164615567
N2,N2-di(4-methoxybenzyl)thiophene-2-carboxamide
CID 2741087
(E)-4-(2-hydroxy-4-methoxyphenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]-4-oxo-N-(thiophen-2-ylmethyl)but-2-enamide
CID 5770958
(E)-N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2-hydroxy-4-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)but-2-enamide
CID 5770968
2,4-Diethoxyphenyl 4-(2-thienylsulfonyl)piperazinyl ketone
CID 6470128
[1-(2-Hydroxy-6-methoxybenzyl)-3-piperidinyl](3-methyl-2-thienyl)methanone
CID 16189567

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-benzyl-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide (CID 25246361) is N-benzyl-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-benzyl-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-benzyl-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide is COc1ccc(C(=O)N(Cc2ccccc2)Cc2cccs2)c(O)c1.
What is the InChIKey of N-benzyl-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is PNHOLXUSSMMJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-24-16-9-10-18(19(22)12-16)20(23)21(14-17-8-5-11-25-17)13-15-6-3-2-4-7-15/h2-12,22H,13-14H2,1H3.
What are the key properties of N-benzyl-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
N-benzyl-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 353.44 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-hydroxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 25246361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).