(2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide

C22H22N2O2S — CID 8762275

IUPAC(2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide
SMILESCc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H22N2O2S/c1-15-7-10-19(11-8-15)23-21(25)14-27-16(2)22(26)24-20-12-9-17-5-3-4-6-18(17)13-20/h3-13,16H,14H2,1-2H3,(H,23,25)(H,24,26)/t16-/m1/s1
InChIKeyYBRFZPLJBIAQRS-MRXNPFEDSA-N
MW378.50 g/mol
LogP4.85
Rot. Bonds6

About (2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide

(2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide (PubChem CID 8762275) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is (2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide
PubChem CID8762275
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name(2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide
SMILESCc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H22N2O2S/c1-15-7-10-19(11-8-15)23-21(25)14-27-16(2)22(26)24-20-12-9-17-5-3-4-6-18(17)13-20/h3-13,16H,14H2,1-2H3,(H,23,25)(H,24,26)/t16-/m1/s1
InChIKeyYBRFZPLJBIAQRS-MRXNPFEDSA-N
XLogP4.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinolin-3-ylpropanamide
CID 42938023
3-[[(2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoyl]amino]benzamide
CID 26700100
N-(4-bromophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 4535489
N-(3,5-difluorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 134061510
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082
N-(2,4-dimethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 4257901
N-(2,6-diethylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 4257905
(2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)propanamide
CID 41037733
N-(3-amino-4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 119419433
(2R)-2-(2-anilino-2-oxoethyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 7731528
(2S)-2-(2-anilino-2-oxoethyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 7731527
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55493163

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide?
The IUPAC name of (2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide (CID 8762275) is (2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide?
The canonical SMILES for (2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide is Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of (2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide?
The InChIKey is YBRFZPLJBIAQRS-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-15-7-10-19(11-8-15)23-21(25)14-27-16(2)22(26)24-20-12-9-17-5-3-4-6-18(17)13-20/h3-13,16H,14H2,1-2H3,(H,23,25)(H,24,26)/t16-/m1/s1.
What are the key properties of (2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide?
(2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide has a molecular weight of 378.50 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 8762275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).