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

C20H28N2O5S — CID 42582064

IUPACN-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide
SMILESCCCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1CCOC
InChIInChI=1S/C20H28N2O5S/c1-6-7-18(23)21-20-19(14(2)15(3)22(20)12-13-26-4)28(24,25)17-10-8-16(27-5)9-11-17/h8-11H,6-7,12-13H2,1-5H3,(H,21,23)
InChIKeyDWZRBMGGDYVOGP-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.33
Rot. Bonds9

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

N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide (PubChem CID 42582064) has the molecular formula C20H28N2O5S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide
PubChem CID42582064
Molecular FormulaC20H28N2O5S
Molecular Weight408.52 g/mol
Exact Mass408.17
IUPAC NameN-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide
SMILESCCCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1CCOC
InChIInChI=1S/C20H28N2O5S/c1-6-7-18(23)21-20-19(14(2)15(3)22(20)12-13-26-4)28(24,25)17-10-8-16(27-5)9-11-17/h8-11H,6-7,12-13H2,1-5H3,(H,21,23)
InChIKeyDWZRBMGGDYVOGP-UHFFFAOYSA-N
XLogP3.33
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]butanamide
CID 42534864
N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]acetamide
CID 42568874
N-[1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide
CID 42534615
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-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]butanamide
CID 42534788
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]oxolane-2-carboxamide
CID 42650191
N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]-4-methoxybenzamide
CID 42534151
N-[1-butyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]-4-methoxybenzamide
CID 46835097
1,5-bis[4-(4-methoxyphenyl)sulfonyl-3,5-dimethylphenyl]pentan-3-one
CID 174854090
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide?
The IUPAC name of N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide (CID 42582064) is N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide is CCCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1CCOC.
What is the InChIKey of N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide?
The InChIKey is DWZRBMGGDYVOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5S/c1-6-7-18(23)21-20-19(14(2)15(3)22(20)12-13-26-4)28(24,25)17-10-8-16(27-5)9-11-17/h8-11H,6-7,12-13H2,1-5H3,(H,21,23).
What are the key properties of N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide?
N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide has a molecular weight of 408.52 g/mol, XLogP of 3.33, 9 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]butanamide is sourced from PubChem (CID 42582064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).