2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide

C24H30N2O2S — CID 86933803

IUPAC2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide
SMILESCc1cc(C(=O)N2CCCCC2C)ccc1NC(=O)C(C)CSc1ccccc1
InChIInChI=1S/C24H30N2O2S/c1-17-15-20(24(28)26-14-8-7-9-19(26)3)12-13-22(17)25-23(27)18(2)16-29-21-10-5-4-6-11-21/h4-6,10-13,15,18-19H,7-9,14,16H2,1-3H3,(H,25,27)
InChIKeyRVKPMDQKXYRXGN-UHFFFAOYSA-N
MW410.58 g/mol
LogP5.38
Rot. Bonds6

About 2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide

2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide (PubChem CID 86933803) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide
PubChem CID86933803
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC Name2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide
SMILESCc1cc(C(=O)N2CCCCC2C)ccc1NC(=O)C(C)CSc1ccccc1
InChIInChI=1S/C24H30N2O2S/c1-17-15-20(24(28)26-14-8-7-9-19(26)3)12-13-22(17)25-23(27)18(2)16-29-21-10-5-4-6-11-21/h4-6,10-13,15,18-19H,7-9,14,16H2,1-3H3,(H,25,27)
InChIKeyRVKPMDQKXYRXGN-UHFFFAOYSA-N
XLogP5.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.58
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 56580263
2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 119305940
2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120790160
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide
CID 95139458
(3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 95279539
5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119113859
4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 120590472
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933446
N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 128950826
[3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 100623753
N-[3-[(2R)-2-methylpiperidine-1-carbonyl]-5-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-2,2-diphenylacetamide
CID 27892566
2-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 119283677

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide?
The IUPAC name of 2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide (CID 86933803) is 2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for 2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide is Cc1cc(C(=O)N2CCCCC2C)ccc1NC(=O)C(C)CSc1ccccc1.
What is the InChIKey of 2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide?
The InChIKey is RVKPMDQKXYRXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c1-17-15-20(24(28)26-14-8-7-9-19(26)3)12-13-22(17)25-23(27)18(2)16-29-21-10-5-4-6-11-21/h4-6,10-13,15,18-19H,7-9,14,16H2,1-3H3,(H,25,27).
What are the key properties of 2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide?
2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide has a molecular weight of 410.58 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 86933803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).