2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride

C20H25ClN2O3S — CID 119796976

IUPAC2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride
SMILESCS(=O)(=O)c1cccc(C(NC(=O)CNCC2CC2)c2ccccc2)c1.Cl
InChIInChI=1S/C20H24N2O3S.ClH/c1-26(24,25)18-9-5-8-17(12-18)20(16-6-3-2-4-7-16)22-19(23)14-21-13-15-10-11-15;/h2-9,12,15,20-21H,10-11,13-14H2,1H3,(H,22,23);1H
InChIKeyUUPAVEIDMDKQPI-UHFFFAOYSA-N
MW408.95 g/mol
LogP2.72
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride (PubChem CID 119796976) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride
PubChem CID119796976
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride
SMILESCS(=O)(=O)c1cccc(C(NC(=O)CNCC2CC2)c2ccccc2)c1.Cl
InChIInChI=1S/C20H24N2O3S.ClH/c1-26(24,25)18-9-5-8-17(12-18)20(16-6-3-2-4-7-16)22-19(23)14-21-13-15-10-11-15;/h2-9,12,15,20-21H,10-11,13-14H2,1H3,(H,22,23);1H
InChIKeyUUPAVEIDMDKQPI-UHFFFAOYSA-N
XLogP2.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119750778
4-amino-3-methoxy-N-[(3-methylsulfonylphenyl)-phenylmethyl]butanamide;hydrochloride
CID 120592927
N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide
CID 166180691
2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 119716453
2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride
CID 119796978
N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]-2-(methylamino)acetamide
CID 119797041
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119801663
2-(cyclopropylmethylamino)-N-(1,1-diphenylpropan-2-yl)acetamide
CID 119716624
3-amino-N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
CID 119796993
3-amino-N-[(4-ethylphenyl)-(3-methylsulfonylphenyl)methyl]propanamide
CID 119331161
2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41397075
3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61157097

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride (CID 119796976) is 2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride is CS(=O)(=O)c1cccc(C(NC(=O)CNCC2CC2)c2ccccc2)c1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride?
The InChIKey is UUPAVEIDMDKQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S.ClH/c1-26(24,25)18-9-5-8-17(12-18)20(16-6-3-2-4-7-16)22-19(23)14-21-13-15-10-11-15;/h2-9,12,15,20-21H,10-11,13-14H2,1H3,(H,22,23);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride has a molecular weight of 408.95 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride is sourced from PubChem (CID 119796976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).