N-butan-2-yl-2-[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetyl]amino]benzamide

C18H23N3O2S2 — CID 42942884

IUPACN-butan-2-yl-2-[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)Cc1sc(SC)nc1C
InChIInChI=1S/C18H23N3O2S2/c1-5-11(2)19-17(23)13-8-6-7-9-14(13)21-16(22)10-15-12(3)20-18(24-4)25-15/h6-9,11H,5,10H2,1-4H3,(H,19,23)(H,21,22)
InChIKeyIHVUUNGNVRUTLJ-UHFFFAOYSA-N
MW377.54 g/mol
LogP3.88
Rot. Bonds7

About N-butan-2-yl-2-[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetyl]amino]benzamide

N-butan-2-yl-2-[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetyl]amino]benzamide (PubChem CID 42942884) has the molecular formula C18H23N3O2S2 and a molecular weight of 377.54 g/mol. Its IUPAC name is N-butan-2-yl-2-[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetyl]amino]benzamide
PubChem CID42942884
Molecular FormulaC18H23N3O2S2
Molecular Weight377.54 g/mol
Exact Mass377.12
IUPAC NameN-butan-2-yl-2-[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)Cc1sc(SC)nc1C
InChIInChI=1S/C18H23N3O2S2/c1-5-11(2)19-17(23)13-8-6-7-9-14(13)21-16(22)10-15-12(3)20-18(24-4)25-15/h6-9,11H,5,10H2,1-4H3,(H,19,23)(H,21,22)
InChIKeyIHVUUNGNVRUTLJ-UHFFFAOYSA-N
XLogP3.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-2-[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetyl]amino]benzamide with MolForge

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Related Compounds

N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]amino]benzamide
CID 26706384
N-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515328
N-(2-ethyl-6-methylphenyl)-2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetamide
CID 18154999
N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 34736203
N-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 133251866
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4-dimethylbenzamide
CID 34734992
N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide
CID 60843100
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706
N-butan-2-yl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 2942479

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-2-[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetyl]amino]benzamide (CID 42942884) is N-butan-2-yl-2-[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetyl]amino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)Cc1sc(SC)nc1C.
What is the InChIKey of N-butan-2-yl-2-[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The InChIKey is IHVUUNGNVRUTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S2/c1-5-11(2)19-17(23)13-8-6-7-9-14(13)21-16(22)10-15-12(3)20-18(24-4)25-15/h6-9,11H,5,10H2,1-4H3,(H,19,23)(H,21,22).
What are the key properties of N-butan-2-yl-2-[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
N-butan-2-yl-2-[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetyl]amino]benzamide has a molecular weight of 377.54 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)acetyl]amino]benzamide is sourced from PubChem (CID 42942884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).