N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide

C17H21NO4S2 — CID 134034593

IUPACN-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C17H21NO4S2/c1-22-16-8-4-3-6-14(16)12-18(13-15-7-5-10-23-15)17(19)9-11-24(2,20)21/h3-8,10H,9,11-13H2,1-2H3
InChIKeyOYGDEZQAHFGFMA-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.72
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide

N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 134034593) has the molecular formula C17H21NO4S2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID134034593
Molecular FormulaC17H21NO4S2
Molecular Weight367.49 g/mol
Exact Mass367.09
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)CCS(C)(=O)=O
InChIInChI=1S/C17H21NO4S2/c1-22-16-8-4-3-6-14(16)12-18(13-15-7-5-10-23-15)17(19)9-11-24(2,20)21/h3-8,10H,9,11-13H2,1-2H3
InChIKeyOYGDEZQAHFGFMA-UHFFFAOYSA-N
XLogP2.72
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 119685026
6-acetamido-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)hexanamide
CID 55332875
2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119685041
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119685030
2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 112795027
2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 112795014
N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 55333106
N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 55383844
N-[(2-methoxyphenyl)methyl]-1-methylsulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 24603453
N-[(2-methoxyphenyl)methyl]-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 24627559

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide (CID 134034593) is N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide is COc1ccccc1CN(Cc1cccs1)C(=O)CCS(C)(=O)=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is OYGDEZQAHFGFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S2/c1-22-16-8-4-3-6-14(16)12-18(13-15-7-5-10-23-15)17(19)9-11-24(2,20)21/h3-8,10H,9,11-13H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide?
N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 367.49 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 134034593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).