N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide

C16H24N2O2S — CID 119572330

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SCCC(=O)NC(C)(CN)C2CC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-16(11-17,12-3-4-12)18-15(19)9-10-21-14-7-5-13(20-2)6-8-14/h5-8,12H,3-4,9-11,17H2,1-2H3,(H,18,19)
InChIKeyBJSKESOQNLIGQZ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.42
Rot. Bonds8

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide

N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 119572330) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID119572330
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SCCC(=O)NC(C)(CN)C2CC2)cc1
InChIInChI=1S/C16H24N2O2S/c1-16(11-17,12-3-4-12)18-15(19)9-10-21-14-7-5-13(20-2)6-8-14/h5-8,12H,3-4,9-11,17H2,1-2H3,(H,18,19)
InChIKeyBJSKESOQNLIGQZ-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-methoxyphenoxy)butanamide
CID 119572344
N-(1-amino-2-methylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119521442
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 119575363
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119572727
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119574829
N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 119522821
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 119572917
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 119608826
4-(4-methoxyphenyl)sulfanylbutan-2-one
CID 11789059
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119574756
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2,6-dimethoxyphenyl)acetamide;hydrochloride
CID 119574609
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-fluorophenoxy)acetamide;hydrochloride
CID 119572196

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide (CID 119572330) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SCCC(=O)NC(C)(CN)C2CC2)cc1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is BJSKESOQNLIGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-16(11-17,12-3-4-12)18-15(19)9-10-21-14-7-5-13(20-2)6-8-14/h5-8,12H,3-4,9-11,17H2,1-2H3,(H,18,19).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 308.45 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 119572330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).