2-amino-2-(4-methylphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride

C20H26ClN3O3S — CID 120667581

IUPAC2-amino-2-(4-methylphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride
SMILESCc1ccc(C(N)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-15-4-8-17(9-5-15)19(21)20(24)22-14-16-6-10-18(11-7-16)27(25,26)23-12-2-3-13-23;/h4-11,19H,2-3,12-14,21H2,1H3,(H,22,24);1H
InChIKeyNIXJIKZFWVHPDH-UHFFFAOYSA-N
MW423.97 g/mol
LogP2.52
Rot. Bonds6

About 2-amino-2-(4-methylphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride

2-amino-2-(4-methylphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride (PubChem CID 120667581) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride
PubChem CID120667581
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC Name2-amino-2-(4-methylphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride
SMILESCc1ccc(C(N)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-15-4-8-17(9-5-15)19(21)20(24)22-14-16-6-10-18(11-7-16)27(25,26)23-12-2-3-13-23;/h4-11,19H,2-3,12-14,21H2,1H3,(H,22,24);1H
InChIKeyNIXJIKZFWVHPDH-UHFFFAOYSA-N
XLogP2.52
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 119272019
(2R)-2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 119296233
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylacetamide
CID 119271586
2-methyl-3-(methylamino)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119735907
N-[(4-methylphenyl)methyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide
CID 23849761
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 5389629
(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271587
(2R)-N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide
CID 26709367
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759219
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826196
1-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 2978458

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride (CID 120667581) is 2-amino-2-(4-methylphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride is Cc1ccc(C(N)C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.Cl.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride?
The InChIKey is NIXJIKZFWVHPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c1-15-4-8-17(9-5-15)19(21)20(24)22-14-16-6-10-18(11-7-16)27(25,26)23-12-2-3-13-23;/h4-11,19H,2-3,12-14,21H2,1H3,(H,22,24);1H.
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride?
2-amino-2-(4-methylphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 120667581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).