N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide

C18H24N4O4S — CID 2126515

IUPACN-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
SMILESCCc1nnc(NC(=O)[C@@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)s1
InChIInChI=1S/C18H24N4O4S/c1-6-14-21-22-18(27-14)20-17(24)15(10(2)3)19-16(23)11-7-12(25-4)9-13(8-11)26-5/h7-10,15H,6H2,1-5H3,(H,19,23)(H,20,22,24)/t15-/m0/s1
InChIKeyOUGDOPGAJPTRGM-HNNXBMFYSA-N
MW392.48 g/mol
LogP2.51
Rot. Bonds8

About N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide

N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide (PubChem CID 2126515) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
PubChem CID2126515
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
SMILESCCc1nnc(NC(=O)[C@@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)s1
InChIInChI=1S/C18H24N4O4S/c1-6-14-21-22-18(27-14)20-17(24)15(10(2)3)19-16(23)11-7-12(25-4)9-13(8-11)26-5/h7-10,15H,6H2,1-5H3,(H,19,23)(H,20,22,24)/t15-/m0/s1
InChIKeyOUGDOPGAJPTRGM-HNNXBMFYSA-N
XLogP2.51
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide 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-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3,5-dimethoxybenzamide
CID 1825741
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-methoxy-benzamide
CID 648237
3,5-Dimethoxy-N-[5-(4-methoxy-benzyl)-[1,3,4]thiadiazol-2-yl]-benzamide
CID 1077808
N-{5-[2-(benzylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide
CID 1364917
N-{[5-({[(5-Ethyl-1,3,4-thiadiazol-2-YL)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-YL]methyl}-3,4,5-trimethoxybenzamide
CID 4121070
N-[(2S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 2102500
N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 2430059
3,5-Dimethoxy-N-(5-propyl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 651003
3,5-dimethoxy-N-(5-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide
CID 18561284
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide
CID 749914
N-[(2S)-1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,4,5-trimethoxybenzamide
CID 2536186
N-[(2S)-1-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 16195893

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide (CID 2126515) is N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide is CCc1nnc(NC(=O)[C@@H](NC(=O)c2cc(OC)cc(OC)c2)C(C)C)s1.
What is the InChIKey of N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
The InChIKey is OUGDOPGAJPTRGM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-6-14-21-22-18(27-14)20-17(24)15(10(2)3)19-16(23)11-7-12(25-4)9-13(8-11)26-5/h7-10,15H,6H2,1-5H3,(H,19,23)(H,20,22,24)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide has a molecular weight of 392.48 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 2126515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).