N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]acetamide

C18H24N2O5S — CID 42568874

IUPACN-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]acetamide
SMILESCOCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(C)=O
InChIInChI=1S/C18H24N2O5S/c1-12-13(2)20(10-11-24-4)18(19-14(3)21)17(12)26(22,23)16-8-6-15(25-5)7-9-16/h6-9H,10-11H2,1-5H3,(H,19,21)
InChIKeyAQUMJCAAYQNOPB-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.55
Rot. Bonds7

About N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]acetamide

N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]acetamide (PubChem CID 42568874) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]acetamide
PubChem CID42568874
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC NameN-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]acetamide
SMILESCOCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(C)=O
InChIInChI=1S/C18H24N2O5S/c1-12-13(2)20(10-11-24-4)18(19-14(3)21)17(12)26(22,23)16-8-6-15(25-5)7-9-16/h6-9H,10-11H2,1-5H3,(H,19,21)
InChIKeyAQUMJCAAYQNOPB-UHFFFAOYSA-N
XLogP2.55
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide
CID 42582064
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]butanamide
CID 42534864
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]pyridine-4-carboxamide
CID 42535088
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]-2-methylpropanamide
CID 42570874
N-[3-(benzenesulfonyl)-1-(2-methoxyethyl)-4,5-dimethylpyrrol-2-yl]-4-methylbenzamide
CID 42581154
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]oxolane-2-carboxamide
CID 42650191
N-[1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide
CID 42534615
N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]-4-methoxybenzamide
CID 42534151
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide
CID 42535133
N-[1-butyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]-4-methoxybenzamide
CID 46835097
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
1,5-bis[4-(4-methoxyphenyl)sulfonyl-3,5-dimethylphenyl]pentan-3-one
CID 174854090

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]acetamide?
The IUPAC name of N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]acetamide (CID 42568874) is N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]acetamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]acetamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]acetamide is COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(C)=O.
What is the InChIKey of N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]acetamide?
The InChIKey is AQUMJCAAYQNOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-12-13(2)20(10-11-24-4)18(19-14(3)21)17(12)26(22,23)16-8-6-15(25-5)7-9-16/h6-9H,10-11H2,1-5H3,(H,19,21).
What are the key properties of N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]acetamide?
N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]acetamide is sourced from PubChem (CID 42568874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).