N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]-2-methylpropanamide

C21H30N2O4S — CID 42570874

IUPACN-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]-2-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)c2c(C)c(C)n(CC(C)C)c2NC(=O)C(C)C)cc1
InChIInChI=1S/C21H30N2O4S/c1-13(2)12-23-16(6)15(5)19(20(23)22-21(24)14(3)4)28(25,26)18-10-8-17(27-7)9-11-18/h8-11,13-14H,12H2,1-7H3,(H,22,24)
InChIKeyZCVHCCUQPLMRRZ-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.20
Rot. Bonds7

About N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]-2-methylpropanamide

N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]-2-methylpropanamide (PubChem CID 42570874) has the molecular formula C21H30N2O4S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]-2-methylpropanamide
PubChem CID42570874
Molecular FormulaC21H30N2O4S
Molecular Weight406.55 g/mol
Exact Mass406.19
IUPAC NameN-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]-2-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)c2c(C)c(C)n(CC(C)C)c2NC(=O)C(C)C)cc1
InChIInChI=1S/C21H30N2O4S/c1-13(2)12-23-16(6)15(5)19(20(23)22-21(24)14(3)4)28(25,26)18-10-8-17(27-7)9-11-18/h8-11,13-14H,12H2,1-7H3,(H,22,24)
InChIKeyZCVHCCUQPLMRRZ-UHFFFAOYSA-N
XLogP4.20
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-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-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide
CID 42535133
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propylpyrrol-2-yl]pyridine-4-carboxamide
CID 42535088
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-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]butanamide
CID 42534788
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-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]-2-methylpropanamide (CID 42570874) is N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]-2-methylpropanamide is COc1ccc(S(=O)(=O)c2c(C)c(C)n(CC(C)C)c2NC(=O)C(C)C)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]-2-methylpropanamide?
The InChIKey is ZCVHCCUQPLMRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4S/c1-13(2)12-23-16(6)15(5)19(20(23)22-21(24)14(3)4)28(25,26)18-10-8-17(27-7)9-11-18/h8-11,13-14H,12H2,1-7H3,(H,22,24).
What are the key properties of N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]-2-methylpropanamide?
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]-2-methylpropanamide has a molecular weight of 406.55 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 42570874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).