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

C19H25N3O3S — CID 47065076

IUPACN-methyl-N-[1-(4-methylphenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCc1ccc(C(C)N(C)S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C19H25N3O3S/c1-14-6-8-16(9-7-14)15(2)21(3)26(24,25)17-12-18(20-13-17)19(23)22-10-4-5-11-22/h6-9,12-13,15,20H,4-5,10-11H2,1-3H3
InChIKeyZHGDFHZUXDSKRQ-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.94
Rot. Bonds5

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

N-methyl-N-[1-(4-methylphenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 47065076) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylphenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylphenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
PubChem CID47065076
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-methyl-N-[1-(4-methylphenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
SMILESCc1ccc(C(C)N(C)S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C19H25N3O3S/c1-14-6-8-16(9-7-14)15(2)21(3)26(24,25)17-12-18(20-13-17)19(23)22-10-4-5-11-22/h6-9,12-13,15,20H,4-5,10-11H2,1-3H3
InChIKeyZHGDFHZUXDSKRQ-UHFFFAOYSA-N
XLogP2.94
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-2-[methyl-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide
CID 35327351
N-[cyclopropyl-(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 134018895
2-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl-methylamino]-N-(2-chloro-4-methylphenyl)acetamide
CID 53079135
N-(3-methylphenyl)-2-[methyl-[[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]amino]acetamide
CID 53079075
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 18108104
N-(4-methylphenyl)-1-[[5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]piperidine-3-carboxamide
CID 53028694
N-methyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 135006273
1-[[5-(azepane-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53079217
N-[1-(2-chlorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 134018887
N-[2-(methylamino)propyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 120825513
2-[methyl-[(4-methylphenyl)methyl]amino]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 26303124
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 55598880

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylphenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-methyl-N-[1-(4-methylphenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 47065076) is N-methyl-N-[1-(4-methylphenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylphenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-methyl-N-[1-(4-methylphenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is Cc1ccc(C(C)N(C)S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of N-methyl-N-[1-(4-methylphenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is ZHGDFHZUXDSKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14-6-8-16(9-7-14)15(2)21(3)26(24,25)17-12-18(20-13-17)19(23)22-10-4-5-11-22/h6-9,12-13,15,20H,4-5,10-11H2,1-3H3.
What are the key properties of N-methyl-N-[1-(4-methylphenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?
N-methyl-N-[1-(4-methylphenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 375.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylphenyl)ethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 47065076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).