2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[4-(diethylsulfamoyl)phenyl]acetamide

C20H27N3O3S2 — CID 55568469

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(Cc2cccs2)C2CC2)cc1
InChIInChI=1S/C20H27N3O3S2/c1-3-23(4-2)28(25,26)19-11-7-16(8-12-19)21-20(24)15-22(17-9-10-17)14-18-6-5-13-27-18/h5-8,11-13,17H,3-4,9-10,14-15H2,1-2H3,(H,21,24)
InChIKeyYDHIPKBIEJTLHB-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.38
Rot. Bonds10

About 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[4-(diethylsulfamoyl)phenyl]acetamide

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[4-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 55568469) has the molecular formula C20H27N3O3S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[4-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
PubChem CID55568469
Molecular FormulaC20H27N3O3S2
Molecular Weight421.59 g/mol
Exact Mass421.15
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[4-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(Cc2cccs2)C2CC2)cc1
InChIInChI=1S/C20H27N3O3S2/c1-3-23(4-2)28(25,26)19-11-7-16(8-12-19)21-20(24)15-22(17-9-10-17)14-18-6-5-13-27-18/h5-8,11-13,17H,3-4,9-10,14-15H2,1-2H3,(H,21,24)
InChIKeyYDHIPKBIEJTLHB-UHFFFAOYSA-N
XLogP3.38
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 30171646
2-[cyclopropyl-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]amino]propanoic acid
CID 122100893
N-ethyl-4-(methylamino)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437377
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965560
N-ethyl-4-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61437625
4-N-ethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 26530442
2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(4-sulfamoylphenyl)acetamide
CID 43031234
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 42951116
N-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 2578354
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 34408527
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-ethyl-N-phenylacetamide
CID 134001322

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[4-(diethylsulfamoyl)phenyl]acetamide (CID 55568469) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[4-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[4-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(Cc2cccs2)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[4-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is YDHIPKBIEJTLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S2/c1-3-23(4-2)28(25,26)19-11-7-16(8-12-19)21-20(24)15-22(17-9-10-17)14-18-6-5-13-27-18/h5-8,11-13,17H,3-4,9-10,14-15H2,1-2H3,(H,21,24).
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[4-(diethylsulfamoyl)phenyl]acetamide?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[4-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 421.59 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-[4-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 55568469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).