N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide

C14H19ClN2O3S — CID 110687915

IUPACN-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCN1CCCCS1(=O)=O
InChIInChI=1S/C14H19ClN2O3S/c1-11-12(15)5-4-6-13(11)16-14(18)7-9-17-8-2-3-10-21(17,19)20/h4-6H,2-3,7-10H2,1H3,(H,16,18)
InChIKeyBOHMWJOOSQUQKU-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.40
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide

N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide (PubChem CID 110687915) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide
PubChem CID110687915
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCN1CCCCS1(=O)=O
InChIInChI=1S/C14H19ClN2O3S/c1-11-12(15)5-4-6-13(11)16-14(18)7-9-17-8-2-3-10-21(17,19)20/h4-6H,2-3,7-10H2,1H3,(H,16,18)
InChIKeyBOHMWJOOSQUQKU-UHFFFAOYSA-N
XLogP2.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)propanamide;oxalic acid
CID 171154314
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
(2R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 91836434
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944418
N-(3-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;oxalic acid
CID 171154325
3-[3-(3-chloro-2-methylanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-2-methylphenyl)propanamide
CID 2168392
6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
N-(3-chloro-2-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 24832612
4-chloro-N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7516991

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide (CID 110687915) is N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide is Cc1c(Cl)cccc1NC(=O)CCN1CCCCS1(=O)=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide?
The InChIKey is BOHMWJOOSQUQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-11-12(15)5-4-6-13(11)16-14(18)7-9-17-8-2-3-10-21(17,19)20/h4-6H,2-3,7-10H2,1H3,(H,16,18).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide?
N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide has a molecular weight of 330.84 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(1,1-dioxothiazinan-2-yl)propanamide is sourced from PubChem (CID 110687915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).