N-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C20H25N3O3S — CID 134018895

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCc1ccc(C(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C2CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-14-4-6-15(7-5-14)19(16-8-9-16)22-27(25,26)17-12-18(21-13-17)20(24)23-10-2-3-11-23/h4-7,12-13,16,19,21-22H,2-3,8-11H2,1H3
InChIKeyXXVBEQGLYHWUGX-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.99
Rot. Bonds6

About N-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 134018895) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID134018895
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCc1ccc(C(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C2CC2)cc1
InChIInChI=1S/C20H25N3O3S/c1-14-4-6-15(7-5-14)19(16-8-9-16)22-27(25,26)17-12-18(21-13-17)20(24)23-10-2-3-11-23/h4-7,12-13,16,19,21-22H,2-3,8-11H2,1H3
InChIKeyXXVBEQGLYHWUGX-UHFFFAOYSA-N
XLogP2.99
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[1-(4-methylphenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 47065076
N-[1-(2-chlorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 134018887
N-(4-methylphenyl)-1-[[5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
CID 53028694
2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone
CID 115576039
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 55988627
N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36620781
N-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 119993343
N-[2-(methylamino)propyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 120825513
1-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53079217
N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide
CID 11393771
N-(4-methylphenyl)-2-[methyl-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide
CID 35327351
4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61482761

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 134018895) is N-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is Cc1ccc(C(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is XXVBEQGLYHWUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14-4-6-15(7-5-14)19(16-8-9-16)22-27(25,26)17-12-18(21-13-17)20(24)23-10-2-3-11-23/h4-7,12-13,16,19,21-22H,2-3,8-11H2,1H3.
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 387.51 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 134018895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).