N-[1-(4-bromophenyl)cyclopropyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide

C19H24BrN3O3S — CID 55826423

IUPACN-[1-(4-bromophenyl)cyclopropyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC2(c3ccc(Br)cc3)CC2)n(C)c1
InChIInChI=1S/C19H24BrN3O3S/c1-4-23(5-2)27(25,26)16-12-17(22(3)13-16)18(24)21-19(10-11-19)14-6-8-15(20)9-7-14/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,24)
InChIKeyOKDNECVZLNGVER-UHFFFAOYSA-N
MW454.39 g/mol
LogP3.24
Rot. Bonds7

About N-[1-(4-bromophenyl)cyclopropyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide

N-[1-(4-bromophenyl)cyclopropyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide (PubChem CID 55826423) has the molecular formula C19H24BrN3O3S and a molecular weight of 454.39 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)cyclopropyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)cyclopropyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
PubChem CID55826423
Molecular FormulaC19H24BrN3O3S
Molecular Weight454.39 g/mol
Exact Mass453.07
IUPAC NameN-[1-(4-bromophenyl)cyclopropyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NC2(c3ccc(Br)cc3)CC2)n(C)c1
InChIInChI=1S/C19H24BrN3O3S/c1-4-23(5-2)27(25,26)16-12-17(22(3)13-16)18(24)21-19(10-11-19)14-6-8-15(20)9-7-14/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,24)
InChIKeyOKDNECVZLNGVER-UHFFFAOYSA-N
XLogP3.24
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylsulfamoyl)-1-methyl-N-[(1-phenylcyclobutyl)methyl]pyrrole-2-carboxamide
CID 16602020
4-[ethyl(2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54878712
N-[2-(diethylamino)propyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 46480322
5-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]-N,N-diethyl-1-methylpyrrole-3-sulfonamide
CID 55454599
methyl 4-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]benzoate
CID 17411877
4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55984075
4-(diethylsulfamoyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methylpyrrole-2-carboxamide
CID 16574023
N-[(3-carbamoylphenyl)methyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 32637125
4-(diethylsulfamoyl)-1-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrole-2-carboxamide
CID 34144529
4-(diethylsulfamoyl)-1-methyl-N-[2-(trifluoromethoxy)phenyl]pyrrole-2-carboxamide
CID 34162390
methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate
CID 17476649
N-[2-(3-chlorophenyl)ethyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 16574039

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)cyclopropyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)cyclopropyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide (CID 55826423) is N-[1-(4-bromophenyl)cyclopropyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)cyclopropyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)cyclopropyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NC2(c3ccc(Br)cc3)CC2)n(C)c1.
What is the InChIKey of N-[1-(4-bromophenyl)cyclopropyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is OKDNECVZLNGVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O3S/c1-4-23(5-2)27(25,26)16-12-17(22(3)13-16)18(24)21-19(10-11-19)14-6-8-15(20)9-7-14/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-[1-(4-bromophenyl)cyclopropyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide?
N-[1-(4-bromophenyl)cyclopropyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 454.39 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)cyclopropyl]-4-(diethylsulfamoyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 55826423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).