(2S)-N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide

C19H24N4OS — CID 99812399

IUPAC(2S)-N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESC[C@]1(C(=O)NCCn2c(C3CC3)n[nH]c2=S)CCc2ccccc2C1
InChIInChI=1S/C19H24N4OS/c1-19(9-8-13-4-2-3-5-15(13)12-19)17(24)20-10-11-23-16(14-6-7-14)21-22-18(23)25/h2-5,14H,6-12H2,1H3,(H,20,24)(H,22,25)/t19-/m0/s1
InChIKeyPSYAIWOWCUALGB-IBGZPJMESA-N
MW356.50 g/mol
LogP3.13
Rot. Bonds5

About (2S)-N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide

(2S)-N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 99812399) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is (2S)-N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide
PubChem CID99812399
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name(2S)-N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESC[C@]1(C(=O)NCCn2c(C3CC3)n[nH]c2=S)CCc2ccccc2C1
InChIInChI=1S/C19H24N4OS/c1-19(9-8-13-4-2-3-5-15(13)12-19)17(24)20-10-11-23-16(14-6-7-14)21-22-18(23)25/h2-5,14H,6-12H2,1H3,(H,20,24)(H,22,25)/t19-/m0/s1
InChIKeyPSYAIWOWCUALGB-IBGZPJMESA-N
XLogP3.13
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (2S)-N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 60256137
N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 60257201
2-(4-fluorophenyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 60257236
2-(4-fluorophenyl)-N-[2-(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 60266715
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 60266912
[2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 60268138
N-[2-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-(4-fluorophenyl)-2-methylpropanamide
CID 71983996
2-(3-fluorophenyl)-N-[2-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]acetamide
CID 71989296
N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 72128946
cis-(1R,2S)-2-(3-fluorophenyl)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95174079
trans-(1S,2S)-2-(3-fluorophenyl)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95174080
trans-(1R,2R)-2-(3-fluorophenyl)-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95174081

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of (2S)-N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide (CID 99812399) is (2S)-N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide is C[C@]1(C(=O)NCCn2c(C3CC3)n[nH]c2=S)CCc2ccccc2C1.
What is the InChIKey of (2S)-N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is PSYAIWOWCUALGB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4OS/c1-19(9-8-13-4-2-3-5-15(13)12-19)17(24)20-10-11-23-16(14-6-7-14)21-22-18(23)25/h2-5,14H,6-12H2,1H3,(H,20,24)(H,22,25)/t19-/m0/s1.
What are the key properties of (2S)-N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide?
(2S)-N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 356.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 99812399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).