N-(4-butylphenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide

C18H22N4O2S2 — CID 2158343

IUPACN-(4-butylphenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
SMILESCCCCc1ccc(NC(=O)CSC2=NN3CCCC(=O)N=C3S2)cc1
InChIInChI=1S/C18H22N4O2S2/c1-2-3-5-13-7-9-14(10-8-13)19-16(24)12-25-18-21-22-11-4-6-15(23)20-17(22)26-18/h7-10H,2-6,11-12H2,1H3,(H,19,24)
InChIKeyYZYYMMMDOLXXLV-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.70
Rot. Bonds6

About N-(4-butylphenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide

N-(4-butylphenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide (PubChem CID 2158343) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
PubChem CID2158343
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC NameN-(4-butylphenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
SMILESCCCCc1ccc(NC(=O)CSC2=NN3CCCC(=O)N=C3S2)cc1
InChIInChI=1S/C18H22N4O2S2/c1-2-3-5-13-7-9-14(10-8-13)19-16(24)12-25-18-21-22-11-4-6-15(23)20-17(22)26-18/h7-10H,2-6,11-12H2,1H3,(H,19,24)
InChIKeyYZYYMMMDOLXXLV-UHFFFAOYSA-N
XLogP3.70
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-butylphenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide 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

2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 1521459
2-[2-(cyclohexylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 135401378
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 753421
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 654546
N-(3-chloro-4-methylphenyl)-2-((8-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)thio)acetamide
CID 2158344
N-Ethyl-2-(3-ethyl-4-oxo-2-p-tolylimino-thiazolidin-5-yl)-acetamide
CID 3136237
2-[2-(benzylimino)-4-hydroxy-2,5-dihydro-1,3-thiazol-5-yl]-N-phenylacetamide
CID 135407473
N-(3-ethylphenyl)-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 4885149
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 651491
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methylphenyl)acetamide hydrochloride
CID 12005924
N-(2,4-Difluorophenyl)-2-({8-oxo-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-A][1,3]diazepin-2-YL}sulfanyl)acetamide
CID 2054026
2-amino-N-(4-ethylphenyl)-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide
CID 2887095

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-butylphenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide (CID 2158343) is N-(4-butylphenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide is CCCCc1ccc(NC(=O)CSC2=NN3CCCC(=O)N=C3S2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide?
The InChIKey is YZYYMMMDOLXXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c1-2-3-5-13-7-9-14(10-8-13)19-16(24)12-25-18-21-22-11-4-6-15(23)20-17(22)26-18/h7-10H,2-6,11-12H2,1H3,(H,19,24).
What are the key properties of N-(4-butylphenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide?
N-(4-butylphenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide has a molecular weight of 390.53 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2158343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).