N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]butanamide

C20H28N2O4S — CID 42534864

IUPACN-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]butanamide
SMILESCCCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1CCC
InChIInChI=1S/C20H28N2O4S/c1-6-8-18(23)21-20-19(14(3)15(4)22(20)13-7-2)27(24,25)17-11-9-16(26-5)10-12-17/h9-12H,6-8,13H2,1-5H3,(H,21,23)
InChIKeyRZPTWTXSYXUOBD-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.09
Rot. Bonds8

About N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]butanamide

N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]butanamide (PubChem CID 42534864) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]butanamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]butanamide
PubChem CID42534864
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC NameN-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]butanamide
SMILESCCCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1CCC
InChIInChI=1S/C20H28N2O4S/c1-6-8-18(23)21-20-19(14(3)15(4)22(20)13-7-2)27(24,25)17-11-9-16(26-5)10-12-17/h9-12H,6-8,13H2,1-5H3,(H,21,23)
InChIKeyRZPTWTXSYXUOBD-UHFFFAOYSA-N
XLogP4.09
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]butanamide?
The IUPAC name of N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]butanamide (CID 42534864) is N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]butanamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]butanamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]butanamide is CCCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1CCC.
What is the InChIKey of N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]butanamide?
The InChIKey is RZPTWTXSYXUOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-6-8-18(23)21-20-19(14(3)15(4)22(20)13-7-2)27(24,25)17-11-9-16(26-5)10-12-17/h9-12H,6-8,13H2,1-5H3,(H,21,23).
What are the key properties of N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]butanamide?
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]butanamide has a molecular weight of 392.52 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]butanamide is sourced from PubChem (CID 42534864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).