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

C22H25N3O4S — CID 42535088

IUPACN-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]pyridine-4-carboxamide
SMILESCCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)c1ccncc1
InChIInChI=1S/C22H25N3O4S/c1-5-14-25-16(3)15(2)20(21(25)24-22(26)17-10-12-23-13-11-17)30(27,28)19-8-6-18(29-4)7-9-19/h6-13H,5,14H2,1-4H3,(H,24,26)
InChIKeyMVXFWUFRKCOGNN-UHFFFAOYSA-N
MW427.53 g/mol
LogP4.00
Rot. Bonds7

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

N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]pyridine-4-carboxamide (PubChem CID 42535088) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]pyridine-4-carboxamide
PubChem CID42535088
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]pyridine-4-carboxamide
SMILESCCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)c1ccncc1
InChIInChI=1S/C22H25N3O4S/c1-5-14-25-16(3)15(2)20(21(25)24-22(26)17-10-12-23-13-11-17)30(27,28)19-8-6-18(29-4)7-9-19/h6-13H,5,14H2,1-4H3,(H,24,26)
InChIKeyMVXFWUFRKCOGNN-UHFFFAOYSA-N
XLogP4.00
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.00
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-(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-[3-(benzenesulfonyl)-1-(2-methoxyethyl)-4,5-dimethylpyrrol-2-yl]-4-methylbenzamide
CID 42581154
N-[1-butyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]-4-methoxybenzamide
CID 46835097
N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]-4-methoxybenzamide
CID 42534151
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-(2-methylpropyl)pyrrol-2-yl]oxolane-2-carboxamide
CID 42650191
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide
CID 42535133
N-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide
CID 4857237
4-(ethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 9411925

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]pyridine-4-carboxamide (CID 42535088) is N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]pyridine-4-carboxamide is CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)c1ccncc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]pyridine-4-carboxamide?
The InChIKey is MVXFWUFRKCOGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-5-14-25-16(3)15(2)20(21(25)24-22(26)17-10-12-23-13-11-17)30(27,28)19-8-6-18(29-4)7-9-19/h6-13H,5,14H2,1-4H3,(H,24,26).
What are the key properties of N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]pyridine-4-carboxamide?
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]pyridine-4-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 42535088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).