1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide

C21H26N2O4S — CID 37484957

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
SMILESCOc1ncccc1CNC(=O)C1(S(=O)(=O)c2ccc(C)c(C)c2)CCCC1
InChIInChI=1S/C21H26N2O4S/c1-15-8-9-18(13-16(15)2)28(25,26)21(10-4-5-11-21)20(24)23-14-17-7-6-12-22-19(17)27-3/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,23,24)
InChIKeyZMQKZIDJNDCHCD-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.11
Rot. Bonds6

About 1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide

1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide (PubChem CID 37484957) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
PubChem CID37484957
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
SMILESCOc1ncccc1CNC(=O)C1(S(=O)(=O)c2ccc(C)c(C)c2)CCCC1
InChIInChI=1S/C21H26N2O4S/c1-15-8-9-18(13-16(15)2)28(25,26)21(10-4-5-11-21)20(24)23-14-17-7-6-12-22-19(17)27-3/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,23,24)
InChIKeyZMQKZIDJNDCHCD-UHFFFAOYSA-N
XLogP3.11
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 37484665
1-(4-chlorophenyl)sulfonyl-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 37486545
5-(ethylsulfamoyl)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbenzamide
CID 37485846
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide
CID 39642729
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 37486420
1-(3,4-dimethylphenyl)sulfonyl-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 24566519
2-(3,4-dimethylphenyl)sulfanyl-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 38536076
1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 53184866
N-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide
CID 24565442
1-[(2-methoxy-3-pyridinyl)methyl]-3-(3-methylbutyl)urea
CID 47164188
2-(2,6-dimethylphenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37486076
1-(benzenesulfonyl)-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 23732618

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide (CID 37484957) is 1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide is COc1ncccc1CNC(=O)C1(S(=O)(=O)c2ccc(C)c(C)c2)CCCC1.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is ZMQKZIDJNDCHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-8-9-18(13-16(15)2)28(25,26)21(10-4-5-11-21)20(24)23-14-17-7-6-12-22-19(17)27-3/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,23,24).
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide?
1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 37484957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).