N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide

C21H21N3O5S2 — CID 37138088

IUPACN-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C21H21N3O5S2/c1-14-5-10-18(29-2)17(12-14)23-19(25)13-22-21(26)15-6-8-16(9-7-15)24-31(27,28)20-4-3-11-30-20/h3-12,24H,13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyRCQZQQOQUVBMMB-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.23
Rot. Bonds8

About N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 37138088) has the molecular formula C21H21N3O5S2 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID37138088
Molecular FormulaC21H21N3O5S2
Molecular Weight459.55 g/mol
Exact Mass459.09
IUPAC NameN-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C21H21N3O5S2/c1-14-5-10-18(29-2)17(12-14)23-19(25)13-22-21(26)15-6-8-16(9-7-15)24-31(27,28)20-4-3-11-30-20/h3-12,24H,13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyRCQZQQOQUVBMMB-UHFFFAOYSA-N
XLogP3.23
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24680132
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 46551082
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 15997618
N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55578020
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39207534
3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 24673626
N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23096482
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25037277
4-[(4-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 26709820
N-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 22779734

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 37138088) is N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide is COc1ccc(C)cc1NC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is RCQZQQOQUVBMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S2/c1-14-5-10-18(29-2)17(12-14)23-19(25)13-22-21(26)15-6-8-16(9-7-15)24-31(27,28)20-4-3-11-30-20/h3-12,24H,13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 459.55 g/mol, XLogP of 3.23, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 37138088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).