N-(3-chloro-4-methoxyphenyl)-3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide

C21H27ClN4O5S — CID 46321419

IUPACN-(3-chloro-4-methoxyphenyl)-3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide
SMILESCOc1ccc(NC(=O)CCNS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C21H27ClN4O5S/c1-13-19(21(28)26-10-4-5-11-26)20(14(2)24-13)32(29,30)23-9-8-18(27)25-15-6-7-17(31-3)16(22)12-15/h6-7,12,23-24H,4-5,8-11H2,1-3H3,(H,25,27)
InChIKeyJDMIAGQWXYPVMY-UHFFFAOYSA-N
MW482.99 g/mol
LogP2.84
Rot. Bonds8

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

N-(3-chloro-4-methoxyphenyl)-3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide (PubChem CID 46321419) has the molecular formula C21H27ClN4O5S and a molecular weight of 482.99 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide
PubChem CID46321419
Molecular FormulaC21H27ClN4O5S
Molecular Weight482.99 g/mol
Exact Mass482.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide
SMILESCOc1ccc(NC(=O)CCNS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C21H27ClN4O5S/c1-13-19(21(28)26-10-4-5-11-26)20(14(2)24-13)32(29,30)23-9-8-18(27)25-15-6-7-17(31-3)16(22)12-15/h6-7,12,23-24H,4-5,8-11H2,1-3H3,(H,25,27)
InChIKeyJDMIAGQWXYPVMY-UHFFFAOYSA-N
XLogP2.84
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4-methoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
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N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide (CID 46321419) is N-(3-chloro-4-methoxyphenyl)-3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide is COc1ccc(NC(=O)CCNS(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide?
The InChIKey is JDMIAGQWXYPVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O5S/c1-13-19(21(28)26-10-4-5-11-26)20(14(2)24-13)32(29,30)23-9-8-18(27)25-15-6-7-17(31-3)16(22)12-15/h6-7,12,23-24H,4-5,8-11H2,1-3H3,(H,25,27).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide?
N-(3-chloro-4-methoxyphenyl)-3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide has a molecular weight of 482.99 g/mol, XLogP of 2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide is sourced from PubChem (CID 46321419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).