N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

C23H30N2O4S — CID 51727990

IUPACN-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H30N2O4S/c1-17-7-12-22(29-3)21(15-17)18(2)24-23(26)16-19-8-10-20(11-9-19)30(27,28)25-13-5-4-6-14-25/h7-12,15,18H,4-6,13-14,16H2,1-3H3,(H,24,26)/t18-/m0/s1
InChIKeyBWWHZWLJEMPKNF-SFHVURJKSA-N
MW430.57 g/mol
LogP3.60
Rot. Bonds7

About N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 51727990) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID51727990
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H30N2O4S/c1-17-7-12-22(29-3)21(15-17)18(2)24-23(26)16-19-8-10-20(11-9-19)30(27,28)25-13-5-4-6-14-25/h7-12,15,18H,4-6,13-14,16H2,1-3H3,(H,24,26)/t18-/m0/s1
InChIKeyBWWHZWLJEMPKNF-SFHVURJKSA-N
XLogP3.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9262400
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 9262298
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9477031
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51220443
5-(azepan-1-ylsulfonyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-methoxybenzamide
CID 93486725
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 28555285
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28552177
methyl (2R)-4-methyl-2-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]pentanoate
CID 9404670
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28555089
2-(3-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9264320
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017
N-[(2R,4S)-4-hydroxypentan-2-yl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 97350505

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 51727990) is N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is COc1ccc(C)cc1[C@H](C)NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is BWWHZWLJEMPKNF-SFHVURJKSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-17-7-12-22(29-3)21(15-17)18(2)24-23(26)16-19-8-10-20(11-9-19)30(27,28)25-13-5-4-6-14-25/h7-12,15,18H,4-6,13-14,16H2,1-3H3,(H,24,26)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 430.57 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 51727990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).