N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-[2-oxo-2-(propylamino)ethyl]benzamide

C18H27N3O3S — CID 7972345

IUPACN-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CN(C)C(=O)c1ccccc1SCC(=O)NC(C)C
InChIInChI=1S/C18H27N3O3S/c1-5-10-19-16(22)11-21(4)18(24)14-8-6-7-9-15(14)25-12-17(23)20-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyHOYMZIKYOYEJEA-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.90
Rot. Bonds9

About N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-[2-oxo-2-(propylamino)ethyl]benzamide

N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-[2-oxo-2-(propylamino)ethyl]benzamide (PubChem CID 7972345) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-[2-oxo-2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
PubChem CID7972345
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CN(C)C(=O)c1ccccc1SCC(=O)NC(C)C
InChIInChI=1S/C18H27N3O3S/c1-5-10-19-16(22)11-21(4)18(24)14-8-6-7-9-15(14)25-12-17(23)20-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyHOYMZIKYOYEJEA-UHFFFAOYSA-N
XLogP1.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 119657829
N-[(3-chlorophenyl)methyl]-N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55332451
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
N-(2-amino-2-oxoethyl)-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 9295788
N-cyclopropyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 9165626
N-[3-(methylamino)propyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide;hydrochloride
CID 119430064
2-[2-oxo-2-(propylcarbamoylamino)ethyl]sulfanylbenzoic acid
CID 43238214
2-[2-(azepane-1-carbonyl)phenyl]sulfanyl-N-propan-2-ylacetamide
CID 7779316
N-[4-[methoxy(methyl)sulfamoyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55389585
2-[ethyl-[2-(2-hydroxyphenyl)sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 62000330
S-[4-[[2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56529745
2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanylbenzoic acid
CID 16795753

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The IUPAC name of N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-[2-oxo-2-(propylamino)ethyl]benzamide (CID 7972345) is N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-[2-oxo-2-(propylamino)ethyl]benzamide.
What is the SMILES notation for N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The canonical SMILES for N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-[2-oxo-2-(propylamino)ethyl]benzamide is CCCNC(=O)CN(C)C(=O)c1ccccc1SCC(=O)NC(C)C.
What is the InChIKey of N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The InChIKey is HOYMZIKYOYEJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-5-10-19-16(22)11-21(4)18(24)14-8-6-7-9-15(14)25-12-17(23)20-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-[2-oxo-2-(propylamino)ethyl]benzamide?
N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-[2-oxo-2-(propylamino)ethyl]benzamide has a molecular weight of 365.50 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-N-[2-oxo-2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 7972345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).