2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

C16H18N2O3S — CID 134031406

IUPAC2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CN(C)C(=O)c1ccccc1OCC(N)=O
InChIInChI=1S/C16H18N2O3S/c1-11-7-8-22-14(11)9-18(2)16(20)12-5-3-4-6-13(12)21-10-15(17)19/h3-8H,9-10H2,1-2H3,(H2,17,19)
InChIKeyPSPQXFRXZXQUJD-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.19
Rot. Bonds6

About 2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 134031406) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID134031406
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CN(C)C(=O)c1ccccc1OCC(N)=O
InChIInChI=1S/C16H18N2O3S/c1-11-7-8-22-14(11)9-18(2)16(20)12-5-3-4-6-13(12)21-10-15(17)19/h3-8H,9-10H2,1-2H3,(H2,17,19)
InChIKeyPSPQXFRXZXQUJD-UHFFFAOYSA-N
XLogP2.19
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoic acid
CID 60953427
2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 39951443
2-(2-amino-2-oxoethoxy)-N-methyl-N-(2-methylpropyl)benzamide
CID 134005920
2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 9017979
2-amino-6-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 81396491
N-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide
CID 71214568
2-(2-amino-2-oxoethoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylbenzamide
CID 32762843
N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 78798582
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
2,5-dichloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114917417
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8649361
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 39948449

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 134031406) is 2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide is Cc1ccsc1CN(C)C(=O)c1ccccc1OCC(N)=O.
What is the InChIKey of 2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is PSPQXFRXZXQUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-7-8-22-14(11)9-18(2)16(20)12-5-3-4-6-13(12)21-10-15(17)19/h3-8H,9-10H2,1-2H3,(H2,17,19).
What are the key properties of 2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 318.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 134031406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).