N-[4-(ethylsulfanylmethyl)phenyl]-2-(3-methyltriazol-4-yl)acetamide

C14H18N4OS — CID 138035970

IUPACN-[4-(ethylsulfanylmethyl)phenyl]-2-(3-methyltriazol-4-yl)acetamide
SMILESCCSCc1ccc(NC(=O)Cc2cnnn2C)cc1
InChIInChI=1S/C14H18N4OS/c1-3-20-10-11-4-6-12(7-5-11)16-14(19)8-13-9-15-17-18(13)2/h4-7,9H,3,8,10H2,1-2H3,(H,16,19)
InChIKeyDRYBDFFMXJZAGH-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.25
Rot. Bonds6

About N-[4-(ethylsulfanylmethyl)phenyl]-2-(3-methyltriazol-4-yl)acetamide

N-[4-(ethylsulfanylmethyl)phenyl]-2-(3-methyltriazol-4-yl)acetamide (PubChem CID 138035970) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[4-(ethylsulfanylmethyl)phenyl]-2-(3-methyltriazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(ethylsulfanylmethyl)phenyl]-2-(3-methyltriazol-4-yl)acetamide
PubChem CID138035970
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[4-(ethylsulfanylmethyl)phenyl]-2-(3-methyltriazol-4-yl)acetamide
SMILESCCSCc1ccc(NC(=O)Cc2cnnn2C)cc1
InChIInChI=1S/C14H18N4OS/c1-3-20-10-11-4-6-12(7-5-11)16-14(19)8-13-9-15-17-18(13)2/h4-7,9H,3,8,10H2,1-2H3,(H,16,19)
InChIKeyDRYBDFFMXJZAGH-UHFFFAOYSA-N
XLogP2.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]propanamide
CID 115682692
N,N-dimethyl-2-[4-[(3-methyltriazol-4-yl)methylamino]phenyl]acetamide
CID 115682439
2-[[2-[4-[[4-(ethylsulfanylmethyl)benzoyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224270
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
2-[3-[2-(4-acetamidoanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 94935663
2-[4-[[4-(ethylsulfanylmethyl)benzoyl]amino]phenyl]-2-methylpropanoic acid
CID 119253809
2-methyl-N-[2-(3-methyltriazol-4-yl)ethyl]propanamide
CID 155354741
3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide
CID 136539853
N-[4-(aminomethyl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 166227163
N-(4-acetamidophenyl)-2-[[4-(ethylsulfanylmethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 136686720
4-[[2-(4-methylanilino)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 2239528
N-(4-ethylphenyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 47259711

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylsulfanylmethyl)phenyl]-2-(3-methyltriazol-4-yl)acetamide?
The IUPAC name of N-[4-(ethylsulfanylmethyl)phenyl]-2-(3-methyltriazol-4-yl)acetamide (CID 138035970) is N-[4-(ethylsulfanylmethyl)phenyl]-2-(3-methyltriazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(ethylsulfanylmethyl)phenyl]-2-(3-methyltriazol-4-yl)acetamide?
The canonical SMILES for N-[4-(ethylsulfanylmethyl)phenyl]-2-(3-methyltriazol-4-yl)acetamide is CCSCc1ccc(NC(=O)Cc2cnnn2C)cc1.
What is the InChIKey of N-[4-(ethylsulfanylmethyl)phenyl]-2-(3-methyltriazol-4-yl)acetamide?
The InChIKey is DRYBDFFMXJZAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-20-10-11-4-6-12(7-5-11)16-14(19)8-13-9-15-17-18(13)2/h4-7,9H,3,8,10H2,1-2H3,(H,16,19).
What are the key properties of N-[4-(ethylsulfanylmethyl)phenyl]-2-(3-methyltriazol-4-yl)acetamide?
N-[4-(ethylsulfanylmethyl)phenyl]-2-(3-methyltriazol-4-yl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylsulfanylmethyl)phenyl]-2-(3-methyltriazol-4-yl)acetamide is sourced from PubChem (CID 138035970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).