N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

C20H23N3O3S2 — CID 55982773

IUPACN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cccn1Cc1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H23N3O3S2/c1-15(16-8-10-18(11-9-16)28(25,26)22(2)3)21-20(24)19-7-4-12-23(19)14-17-6-5-13-27-17/h4-13,15H,14H2,1-3H3,(H,21,24)
InChIKeyXYUBMQOUEKXFMW-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.34
Rot. Bonds7

About N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 55982773) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID55982773
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC NameN-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cccn1Cc1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H23N3O3S2/c1-15(16-8-10-18(11-9-16)28(25,26)22(2)3)21-20(24)19-7-4-12-23(19)14-17-6-5-13-27-17/h4-13,15H,14H2,1-3H3,(H,21,24)
InChIKeyXYUBMQOUEKXFMW-UHFFFAOYSA-N
XLogP3.34
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 119221189
N-[(2R)-1-amino-1-oxopropan-2-yl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 96563172
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 97194203
(2R)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]butanoic acid
CID 124610210
4-(dimethylsulfamoyl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918075
N-(3-aminobutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119499620
(E)-2-[[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]amino]hex-4-enoic acid
CID 120693316
N-(2-amino-2-ethylbutyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119643874
N-(1-aminohexan-2-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119668727
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide
CID 112765398
N-(3-aminopropyl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 119408953

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (CID 55982773) is N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is CC(NC(=O)c1cccn1Cc1cccs1)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is XYUBMQOUEKXFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-15(16-8-10-18(11-9-16)28(25,26)22(2)3)21-20(24)19-7-4-12-23(19)14-17-6-5-13-27-17/h4-13,15H,14H2,1-3H3,(H,21,24).
What are the key properties of N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 417.56 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 55982773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).