2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide

C20H27N3O3S — CID 8790102

IUPAC2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)N(Cc1cccs1)c1ccc(OC)cc1
InChIInChI=1S/C20H27N3O3S/c1-4-11-21-19(24)14-22(2)15-20(25)23(13-18-6-5-12-27-18)16-7-9-17(26-3)10-8-16/h5-10,12H,4,11,13-15H2,1-3H3,(H,21,24)
InChIKeyXTJXNXDDUUVHIO-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.75
Rot. Bonds10

About 2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide

2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide (PubChem CID 8790102) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
PubChem CID8790102
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)N(Cc1cccs1)c1ccc(OC)cc1
InChIInChI=1S/C20H27N3O3S/c1-4-11-21-19(24)14-22(2)15-20(25)23(13-18-6-5-12-27-18)16-7-9-17(26-3)10-8-16/h5-10,12H,4,11,13-15H2,1-3H3,(H,21,24)
InChIKeyXTJXNXDDUUVHIO-UHFFFAOYSA-N
XLogP2.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8788912
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512951
N-(4-methoxyphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8693164
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8683482
cis-(1R,2S)-2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129467519
[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8970152
2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide
CID 24587570
2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 27075867
N-(4-methoxyphenyl)-2-(3-methoxyphenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 35041458
2-(N-benzyl-4-methoxyanilino)-N-propylacetamide
CID 18166490
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17421377
methyl 4-[methyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]butanoate
CID 62012890

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide (CID 8790102) is 2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)CC(=O)N(Cc1cccs1)c1ccc(OC)cc1.
What is the InChIKey of 2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide?
The InChIKey is XTJXNXDDUUVHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-4-11-21-19(24)14-22(2)15-20(25)23(13-18-6-5-12-27-18)16-7-9-17(26-3)10-8-16/h5-10,12H,4,11,13-15H2,1-3H3,(H,21,24).
What are the key properties of 2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide?
2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide has a molecular weight of 389.52 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 8790102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).