N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide

C18H23N3O3S — CID 131900152

IUPACN-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide
SMILESCc1ccc(C(NC(=O)CCCS(N)(=O)=O)c2cccnc2)cc1C
InChIInChI=1S/C18H23N3O3S/c1-13-7-8-15(11-14(13)2)18(16-5-3-9-20-12-16)21-17(22)6-4-10-25(19,23)24/h3,5,7-9,11-12,18H,4,6,10H2,1-2H3,(H,21,22)(H2,19,23,24)
InChIKeyVKFNPJCLBUDFGL-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.97
Rot. Bonds7

About N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide

N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide (PubChem CID 131900152) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide
PubChem CID131900152
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide
SMILESCc1ccc(C(NC(=O)CCCS(N)(=O)=O)c2cccnc2)cc1C
InChIInChI=1S/C18H23N3O3S/c1-13-7-8-15(11-14(13)2)18(16-5-3-9-20-12-16)21-17(22)6-4-10-25(19,23)24/h3,5,7-9,11-12,18H,4,6,10H2,1-2H3,(H,21,22)(H2,19,23,24)
InChIKeyVKFNPJCLBUDFGL-UHFFFAOYSA-N
XLogP1.97
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-amino-1,3-thiazol-4-yl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]propanamide
CID 74245190
2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide
CID 20897057
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide
CID 92500236
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide
CID 20897042
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70706905
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 131892139
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide
CID 92500240
N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 43010004
N-[(3,4-dimethylphenyl)-phenylmethyl]butanamide
CID 43011406
N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500223
N-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 32576772
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-1-(2-hydroxyethyl)piperidine-4-carboxamide
CID 74243950

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide?
The IUPAC name of N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide (CID 131900152) is N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide is Cc1ccc(C(NC(=O)CCCS(N)(=O)=O)c2cccnc2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide?
The InChIKey is VKFNPJCLBUDFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13-7-8-15(11-14(13)2)18(16-5-3-9-20-12-16)21-17(22)6-4-10-25(19,23)24/h3,5,7-9,11-12,18H,4,6,10H2,1-2H3,(H,21,22)(H2,19,23,24).
What are the key properties of N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide?
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide has a molecular weight of 361.47 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide is sourced from PubChem (CID 131900152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).