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

C22H26N2O5S — CID 42534615

IUPACN-[1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide
SMILESCCCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1Cc1ccco1
InChIInChI=1S/C22H26N2O5S/c1-5-7-20(25)23-22-21(30(26,27)19-11-9-17(28-4)10-12-19)15(2)16(3)24(22)14-18-8-6-13-29-18/h6,8-13H,5,7,14H2,1-4H3,(H,23,25)
InChIKeySAHPTYOZLSTGGE-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.33
Rot. Bonds8

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

N-[1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide (PubChem CID 42534615) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide.

Molecular Properties

Compound NameN-[1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide
PubChem CID42534615
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-[1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide
SMILESCCCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1Cc1ccco1
InChIInChI=1S/C22H26N2O5S/c1-5-7-20(25)23-22-21(30(26,27)19-11-9-17(28-4)10-12-19)15(2)16(3)24(22)14-18-8-6-13-29-18/h6,8-13H,5,7,14H2,1-4H3,(H,23,25)
InChIKeySAHPTYOZLSTGGE-UHFFFAOYSA-N
XLogP4.33
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.33
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]butanamide
CID 42582064
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]-2-methylpropanamide
CID 42570874
N-[1-(2-methoxyethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]acetamide
CID 42568874
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]pyridine-4-carboxamide
CID 42535088
N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 35041493
[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl] 2-methoxyacetate
CID 7604527
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
dimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate
CID 758247
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8731706
1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3731735

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide?
The IUPAC name of N-[1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide (CID 42534615) is N-[1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide.
What is the SMILES notation for N-[1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide?
The canonical SMILES for N-[1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide is CCCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1Cc1ccco1.
What is the InChIKey of N-[1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide?
The InChIKey is SAHPTYOZLSTGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-5-7-20(25)23-22-21(30(26,27)19-11-9-17(28-4)10-12-19)15(2)16(3)24(22)14-18-8-6-13-29-18/h6,8-13H,5,7,14H2,1-4H3,(H,23,25).
What are the key properties of N-[1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide?
N-[1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide has a molecular weight of 430.53 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfonyl-4,5-dimethylpyrrol-2-yl]butanamide is sourced from PubChem (CID 42534615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).