N-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide

C14H19ClN2OS — CID 116651955

IUPACN-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)N(C)C(CN)C2CC2)c1
InChIInChI=1S/C14H19ClN2OS/c1-17(13(8-16)9-3-4-9)14(18)11-7-10(19-2)5-6-12(11)15/h5-7,9,13H,3-4,8,16H2,1-2H3
InChIKeySUNFLRZCZJHNEH-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.87
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide

N-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide (PubChem CID 116651955) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide
PubChem CID116651955
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)N(C)C(CN)C2CC2)c1
InChIInChI=1S/C14H19ClN2OS/c1-17(13(8-16)9-3-4-9)14(18)11-7-10(19-2)5-6-12(11)15/h5-7,9,13H,3-4,8,16H2,1-2H3
InChIKeySUNFLRZCZJHNEH-UHFFFAOYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-5-chloro-2-iodo-N-methylbenzamide
CID 114030464
N-(2-amino-1-cyclopropylethyl)-2,6-dichloro-N-methylbenzamide
CID 116651988
N-(2-amino-1-cyclopropylethyl)-5-fluoro-N,2-dimethylbenzamide
CID 116651780
N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N,2-dimethylbenzamide
CID 116652032
N-(2-amino-1-cyclopropylethyl)-5-chloro-N-methylpyridine-2-carboxamide
CID 116651594
N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide
CID 116651837
N-(2-amino-1-cyclopropylethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 114039801
N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
CID 116651907
N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide
CID 104872927
2-chloro-N-(3-hydroxypropyl)-N-methyl-5-methylsulfanylbenzamide
CID 114230616
2-chloro-N-methyl-5-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627453
N-(2-amino-1-cyclopropylethyl)-4-chloro-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 116651942

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide (CID 116651955) is N-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)N(C)C(CN)C2CC2)c1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide?
The InChIKey is SUNFLRZCZJHNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-17(13(8-16)9-3-4-9)14(18)11-7-10(19-2)5-6-12(11)15/h5-7,9,13H,3-4,8,16H2,1-2H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide?
N-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide has a molecular weight of 298.84 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-chloro-N-methyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 116651955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).