N-(3-chloro-2-propan-2-ylsulfanylphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride

C15H22Cl2N2OS — CID 119707338

IUPACN-(3-chloro-2-propan-2-ylsulfanylphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCC(C)Sc1c(Cl)cccc1NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C15H21ClN2OS.ClH/c1-10(2)20-15-12(16)4-3-5-13(15)18-14(19)9-17-8-11-6-7-11;/h3-5,10-11,17H,6-9H2,1-2H3,(H,18,19);1H
InChIKeyQZMOOLGYIDDYTP-UHFFFAOYSA-N
MW349.33 g/mol
LogP4.20
Rot. Bonds7

About N-(3-chloro-2-propan-2-ylsulfanylphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride

N-(3-chloro-2-propan-2-ylsulfanylphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride (PubChem CID 119707338) has the molecular formula C15H22Cl2N2OS and a molecular weight of 349.33 g/mol. Its IUPAC name is N-(3-chloro-2-propan-2-ylsulfanylphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-2-propan-2-ylsulfanylphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
PubChem CID119707338
Molecular FormulaC15H22Cl2N2OS
Molecular Weight349.33 g/mol
Exact Mass348.08
IUPAC NameN-(3-chloro-2-propan-2-ylsulfanylphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCC(C)Sc1c(Cl)cccc1NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C15H21ClN2OS.ClH/c1-10(2)20-15-12(16)4-3-5-13(15)18-14(19)9-17-8-11-6-7-11;/h3-5,10-11,17H,6-9H2,1-2H3,(H,18,19);1H
InChIKeyQZMOOLGYIDDYTP-UHFFFAOYSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-(2,3-dichlorophenyl)acetamide
CID 60843168
N-(3-chloro-2-propan-2-ylsulfanylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 111475075
2-(cyclopropylmethylamino)-N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119709174
3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide
CID 54925416
2-(cyclopropylmethylamino)-N-(2-phenylphenyl)acetamide;hydrochloride
CID 119675331
N-(3-chloro-2-propan-2-ylsulfanylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119707327
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60841931
diethyl 2-[(3-chloro-2-propan-2-ylsulfanylanilino)methylidene]propanedioate
CID 2779387
2-(cyclopropylmethylamino)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 119767799
2-(cyclopropylmethylamino)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 60841919
N-[2-[cyclopentyl(methyl)amino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119899295
2-(cyclopropylmethylamino)-N-[2-(2-methoxyethyl)phenyl]acetamide
CID 102905776

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-propan-2-ylsulfanylphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-(3-chloro-2-propan-2-ylsulfanylphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride (CID 119707338) is N-(3-chloro-2-propan-2-ylsulfanylphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-2-propan-2-ylsulfanylphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-(3-chloro-2-propan-2-ylsulfanylphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride is CC(C)Sc1c(Cl)cccc1NC(=O)CNCC1CC1.Cl.
What is the InChIKey of N-(3-chloro-2-propan-2-ylsulfanylphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The InChIKey is QZMOOLGYIDDYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS.ClH/c1-10(2)20-15-12(16)4-3-5-13(15)18-14(19)9-17-8-11-6-7-11;/h3-5,10-11,17H,6-9H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(3-chloro-2-propan-2-ylsulfanylphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride?
N-(3-chloro-2-propan-2-ylsulfanylphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride has a molecular weight of 349.33 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-propan-2-ylsulfanylphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119707338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).