N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide

C20H23N3O3S2 — CID 24625349

IUPACN-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2sccc2-n2cccc2)cc1
InChIInChI=1S/C20H23N3O3S2/c1-15(2)22-28(25,26)14-17-7-5-16(6-8-17)13-21-20(24)19-18(9-12-27-19)23-10-3-4-11-23/h3-12,15,22H,13-14H2,1-2H3,(H,21,24)
InChIKeyDLAGXNIKOWKNPE-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.30
Rot. Bonds8

About N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide

N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 24625349) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID24625349
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC NameN-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2sccc2-n2cccc2)cc1
InChIInChI=1S/C20H23N3O3S2/c1-15(2)22-28(25,26)14-17-7-5-16(6-8-17)13-21-20(24)19-18(9-12-27-19)23-10-3-4-11-23/h3-12,15,22H,13-14H2,1-2H3,(H,21,24)
InChIKeyDLAGXNIKOWKNPE-UHFFFAOYSA-N
XLogP3.30
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 65031882
5-bromo-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]furan-3-carboxamide
CID 39695571
2-(2-phenylethyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 52541663
3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 24658577
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 66168126
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55758428
N-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 31302201
methyl 2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoate
CID 103957822
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-thiophen-3-ylpropanamide
CID 17436142
3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 43354881
N-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 37397786

Frequently Asked Questions

What is the IUPAC name of N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide (CID 24625349) is N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide is CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2sccc2-n2cccc2)cc1.
What is the InChIKey of N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is DLAGXNIKOWKNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-15(2)22-28(25,26)14-17-7-5-16(6-8-17)13-21-20(24)19-18(9-12-27-19)23-10-3-4-11-23/h3-12,15,22H,13-14H2,1-2H3,(H,21,24).
What are the key properties of N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide?
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 417.56 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 24625349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).