4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride

C19H27ClN2OS — CID 120559324

IUPAC4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CCC(C)N)s1.Cl
InChIInChI=1S/C19H26N2OS.ClH/c1-15(20)8-11-19(22)21(14-18-10-9-16(2)23-18)13-12-17-6-4-3-5-7-17;/h3-7,9-10,15H,8,11-14,20H2,1-2H3;1H
InChIKeyBJXAHMQERAKWAW-UHFFFAOYSA-N
MW366.96 g/mol
LogP4.18
Rot. Bonds8

About 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride

4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride (PubChem CID 120559324) has the molecular formula C19H27ClN2OS and a molecular weight of 366.96 g/mol. Its IUPAC name is 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride
PubChem CID120559324
Molecular FormulaC19H27ClN2OS
Molecular Weight366.96 g/mol
Exact Mass366.15
IUPAC Name4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CCC(C)N)s1.Cl
InChIInChI=1S/C19H26N2OS.ClH/c1-15(20)8-11-19(22)21(14-18-10-9-16(2)23-18)13-12-17-6-4-3-5-7-17;/h3-7,9-10,15H,8,11-14,20H2,1-2H3;1H
InChIKeyBJXAHMQERAKWAW-UHFFFAOYSA-N
XLogP4.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.96
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride
CID 120587303
(2R)-2-(carbamoylamino)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 94797374
4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide
CID 120562136
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884701
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119691858
2-(2-methyl-1,3-thiazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 134008275
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide
CID 120884702
2,4-difluoro-N-[3-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-3-oxopropyl]benzamide
CID 24657377
N-[(5-methylthiophen-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)butanamide
CID 55390613
[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl] 4-formylbenzoate
CID 9019787
3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119691845
[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289566

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride (CID 120559324) is 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride is Cc1ccc(CN(CCc2ccccc2)C(=O)CCC(C)N)s1.Cl.
What is the InChIKey of 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride?
The InChIKey is BJXAHMQERAKWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS.ClH/c1-15(20)8-11-19(22)21(14-18-10-9-16(2)23-18)13-12-17-6-4-3-5-7-17;/h3-7,9-10,15H,8,11-14,20H2,1-2H3;1H.
What are the key properties of 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride?
4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride has a molecular weight of 366.96 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride is sourced from PubChem (CID 120559324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).