N-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide

C27H26N2O3S — CID 99957493

IUPACN-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCc1ccccc1[C@H](NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C27H26N2O3S/c1-20-11-6-8-16-23(20)27(22-13-4-3-5-14-22)28-26(30)19-29(33(2,31)32)25-18-10-15-21-12-7-9-17-24(21)25/h3-18,27H,19H2,1-2H3,(H,28,30)/t27-/m1/s1
InChIKeyQKWIGRUCUFRPAM-HHHXNRCGSA-N
MW458.58 g/mol
LogP4.82
Rot. Bonds7

About N-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide

N-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (PubChem CID 99957493) has the molecular formula C27H26N2O3S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
PubChem CID99957493
Molecular FormulaC27H26N2O3S
Molecular Weight458.58 g/mol
Exact Mass458.17
IUPAC NameN-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCc1ccccc1[C@H](NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C27H26N2O3S/c1-20-11-6-8-16-23(20)27(22-13-4-3-5-14-22)28-26(30)19-29(33(2,31)32)25-18-10-15-21-12-7-9-17-24(21)25/h3-18,27H,19H2,1-2H3,(H,28,30)/t27-/m1/s1
InChIKeyQKWIGRUCUFRPAM-HHHXNRCGSA-N
XLogP4.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43885253
2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43876173
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43886580
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92671427
2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43896263
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30303921
2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 133184536
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92678174
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 28576245
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43876677
N-[1-(2,4-dimethylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 43896260
N-(2-hydrazinyl-2-oxoethyl)-N-naphthalen-1-ylmethanesulfonamide
CID 50895807

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The IUPAC name of N-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (CID 99957493) is N-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.
What is the SMILES notation for N-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The canonical SMILES for N-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is Cc1ccccc1[C@H](NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The InChIKey is QKWIGRUCUFRPAM-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H26N2O3S/c1-20-11-6-8-16-23(20)27(22-13-4-3-5-14-22)28-26(30)19-29(33(2,31)32)25-18-10-15-21-12-7-9-17-24(21)25/h3-18,27H,19H2,1-2H3,(H,28,30)/t27-/m1/s1.
What are the key properties of N-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide has a molecular weight of 458.58 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is sourced from PubChem (CID 99957493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).