N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]oxolane-2-carboxamide

C23H30N2O4S — CID 42649481

IUPACN-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]oxolane-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2c(C)c(C)n(C3CCCC3)c2NC(=O)C2CCCO2)cc1
InChIInChI=1S/C23H30N2O4S/c1-15-10-12-19(13-11-15)30(27,28)21-16(2)17(3)25(18-7-4-5-8-18)22(21)24-23(26)20-9-6-14-29-20/h10-13,18,20H,4-9,14H2,1-3H3,(H,24,26)
InChIKeyWCYNMKCHWMIDNJ-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.48
Rot. Bonds5

About N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]oxolane-2-carboxamide

N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]oxolane-2-carboxamide (PubChem CID 42649481) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]oxolane-2-carboxamide
PubChem CID42649481
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]oxolane-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2c(C)c(C)n(C3CCCC3)c2NC(=O)C2CCCO2)cc1
InChIInChI=1S/C23H30N2O4S/c1-15-10-12-19(13-11-15)30(27,28)21-16(2)17(3)25(18-7-4-5-8-18)22(21)24-23(26)20-9-6-14-29-20/h10-13,18,20H,4-9,14H2,1-3H3,(H,24,26)
InChIKeyWCYNMKCHWMIDNJ-UHFFFAOYSA-N
XLogP4.48
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]pyridine-4-carboxamide
CID 42581072
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-(2-methylpropyl)pyrrol-2-yl]oxolane-2-carboxamide
CID 42650191
N-(3-chloro-2-methylphenyl)oxane-2-carboxamide
CID 110859024
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
N-[5-[2-(4-methylphenyl)sulfonylethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 650587
N-(4-methyl-3-sulfamoylphenyl)oxane-2-carboxamide
CID 62213044
(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
CID 40870131
(2S)-N-(3,5-dimethylphenyl)oxolane-2-carboxamide
CID 7923565
N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112996161
N-[3-[3-(oxolane-2-carbonylamino)phenyl]sulfonylphenyl]oxolane-2-carboxamide
CID 3164147
N-(1,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
CID 56725172
4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 94091179

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]oxolane-2-carboxamide?
The IUPAC name of N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]oxolane-2-carboxamide (CID 42649481) is N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]oxolane-2-carboxamide is Cc1ccc(S(=O)(=O)c2c(C)c(C)n(C3CCCC3)c2NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]oxolane-2-carboxamide?
The InChIKey is WCYNMKCHWMIDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-15-10-12-19(13-11-15)30(27,28)21-16(2)17(3)25(18-7-4-5-8-18)22(21)24-23(26)20-9-6-14-29-20/h10-13,18,20H,4-9,14H2,1-3H3,(H,24,26).
What are the key properties of N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]oxolane-2-carboxamide?
N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]oxolane-2-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 42649481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).