N-[4-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide

C20H26N2O3S — CID 4876177

IUPACN-[4-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCOCC(C)n1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C
InChIInChI=1S/C20H26N2O3S/c1-13-10-19(15(3)22(13)14(2)11-25-5)20(24)12-26-18-8-6-17(7-9-18)21-16(4)23/h6-10,14H,11-12H2,1-5H3,(H,21,23)
InChIKeyCPYKUCFOSMJJCB-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.25
Rot. Bonds8

About N-[4-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide

N-[4-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide (PubChem CID 4876177) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[4-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide
PubChem CID4876177
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[4-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide
SMILESCOCC(C)n1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C
InChIInChI=1S/C20H26N2O3S/c1-13-10-19(15(3)22(13)14(2)11-25-5)20(24)12-26-18-8-6-17(7-9-18)21-16(4)23/h6-10,14H,11-12H2,1-5H3,(H,21,23)
InChIKeyCPYKUCFOSMJJCB-UHFFFAOYSA-N
XLogP4.25
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide (CID 4876177) is N-[4-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide is COCC(C)n1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C.
What is the InChIKey of N-[4-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide?
The InChIKey is CPYKUCFOSMJJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-13-10-19(15(3)22(13)14(2)11-25-5)20(24)12-26-18-8-6-17(7-9-18)21-16(4)23/h6-10,14H,11-12H2,1-5H3,(H,21,23).
What are the key properties of N-[4-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide?
N-[4-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 4876177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).