2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide

C21H25N3O4S — CID 656014

IUPAC2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H25N3O4S/c1-15-9-11-17(12-10-15)29(27,28)23-16(2)20(25)22-19-8-4-3-7-18(19)21(26)24-13-5-6-14-24/h3-4,7-12,16,23H,5-6,13-14H2,1-2H3,(H,22,25)
InChIKeyZCCJABDNPZWPDH-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.54
Rot. Bonds6

About 2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide

2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 656014) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID656014
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H25N3O4S/c1-15-9-11-17(12-10-15)29(27,28)23-16(2)20(25)22-19-8-4-3-7-18(19)21(26)24-13-5-6-14-24/h3-4,7-12,16,23H,5-6,13-14H2,1-2H3,(H,22,25)
InChIKeyZCCJABDNPZWPDH-UHFFFAOYSA-N
XLogP2.54
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide (CID 656014) is 2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide is Cc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is ZCCJABDNPZWPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-15-9-11-17(12-10-15)29(27,28)23-16(2)20(25)22-19-8-4-3-7-18(19)21(26)24-13-5-6-14-24/h3-4,7-12,16,23H,5-6,13-14H2,1-2H3,(H,22,25).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide has a molecular weight of 415.52 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 656014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).