N-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide

C21H22N2O3S2 — CID 10173201

IUPACN-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide
SMILESCCN(C)C(=O)Cc1cscc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H22N2O3S2/c1-3-23(2)21(24)13-18-14-27-15-20(18)22-28(25,26)19-11-9-17(10-12-19)16-7-5-4-6-8-16/h4-12,14-15,22H,3,13H2,1-2H3
InChIKeyJVOUYVXHJRZDDJ-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.24
Rot. Bonds7

About N-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide

N-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide (PubChem CID 10173201) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide
PubChem CID10173201
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC NameN-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide
SMILESCCN(C)C(=O)Cc1cscc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H22N2O3S2/c1-3-23(2)21(24)13-18-14-27-15-20(18)22-28(25,26)19-11-9-17(10-12-19)16-7-5-4-6-8-16/h4-12,14-15,22H,3,13H2,1-2H3
InChIKeyJVOUYVXHJRZDDJ-UHFFFAOYSA-N
XLogP4.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide
CID 10151681
4-phenyl-N-(4-phenylthiophen-3-yl)benzenesulfonamide
CID 10237527
N-methyl-2-[5-[(4-phenylphenyl)sulfonylamino]-1,2,4-thiadiazol-3-yl]-N-propan-2-ylacetamide
CID 22028076
4-(4-methylsulfanylphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)thiophen-3-yl]benzenesulfonamide
CID 11294744
4-(benzenesulfonamido)thiophene-3-carboxylic acid
CID 70120734
N-ethyl-2-[4-(ethylsulfamoyl)phenyl]-N-methylacetamide
CID 75522415
ethyl 2-oxo-2-[2-[(4-phenylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetate
CID 91561880
4-(diethylamino)-4-oxo-2,3-bis[6-[(4-phenylphenyl)sulfonylamino]-2-pyridinyl]butanoic acid
CID 68841191
4-phenyl-N-propoxybenzenesulfonamide
CID 175370180
(2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide
CID 96524563
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide
CID 4677884

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide?
The IUPAC name of N-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide (CID 10173201) is N-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide is CCN(C)C(=O)Cc1cscc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide?
The InChIKey is JVOUYVXHJRZDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-3-23(2)21(24)13-18-14-27-15-20(18)22-28(25,26)19-11-9-17(10-12-19)16-7-5-4-6-8-16/h4-12,14-15,22H,3,13H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide?
N-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide has a molecular weight of 414.55 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide is sourced from PubChem (CID 10173201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).