N-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide

C23H32N4O4S — CID 46321445

IUPACN-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)c(C)c1
InChIInChI=1S/C23H32N4O4S/c1-15-8-9-19(16(2)14-15)26-20(28)10-11-24-32(30,31)22-18(4)25-17(3)21(22)23(29)27-12-6-5-7-13-27/h8-9,14,24-25H,5-7,10-13H2,1-4H3,(H,26,28)
InChIKeyOGBUGGJNMFRTCR-UHFFFAOYSA-N
MW460.60 g/mol
LogP3.18
Rot. Bonds7

About N-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide

N-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide (PubChem CID 46321445) has the molecular formula C23H32N4O4S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide
PubChem CID46321445
Molecular FormulaC23H32N4O4S
Molecular Weight460.60 g/mol
Exact Mass460.21
IUPAC NameN-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)c(C)c1
InChIInChI=1S/C23H32N4O4S/c1-15-8-9-19(16(2)14-15)26-20(28)10-11-24-32(30,31)22-18(4)25-17(3)21(22)23(29)27-12-6-5-7-13-27/h8-9,14,24-25H,5-7,10-13H2,1-4H3,(H,26,28)
InChIKeyOGBUGGJNMFRTCR-UHFFFAOYSA-N
XLogP3.18
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 46321450
N-(3-chloro-4-methoxyphenyl)-3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide
CID 46321419
2,5-dimethyl-N-[(4-methylphenyl)methyl]-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945071
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
N-(5-chloro-2-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945171
N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 51166424
N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945238
4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049129
N-(2-ethoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945241
N-(2,4-dimethylphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299836
N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945230
3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 26538610

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide (CID 46321445) is N-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide is Cc1ccc(NC(=O)CCNS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCCC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide?
The InChIKey is OGBUGGJNMFRTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4S/c1-15-8-9-19(16(2)14-15)26-20(28)10-11-24-32(30,31)22-18(4)25-17(3)21(22)23(29)27-12-6-5-7-13-27/h8-9,14,24-25H,5-7,10-13H2,1-4H3,(H,26,28).
What are the key properties of N-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide?
N-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide has a molecular weight of 460.60 g/mol, XLogP of 3.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide is sourced from PubChem (CID 46321445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).