3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide

C19H23N3O4S — CID 46593487

IUPAC3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide
SMILESCCNC(=O)COc1ccc(NC(=O)CC(NC(C)=O)c2cccs2)cc1
InChIInChI=1S/C19H23N3O4S/c1-3-20-19(25)12-26-15-8-6-14(7-9-15)22-18(24)11-16(21-13(2)23)17-5-4-10-27-17/h4-10,16H,3,11-12H2,1-2H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeySNJIUOXIGPZMGM-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.47
Rot. Bonds9

About 3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide

3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide (PubChem CID 46593487) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide
PubChem CID46593487
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide
SMILESCCNC(=O)COc1ccc(NC(=O)CC(NC(C)=O)c2cccs2)cc1
InChIInChI=1S/C19H23N3O4S/c1-3-20-19(25)12-26-15-8-6-14(7-9-15)22-18(24)11-16(21-13(2)23)17-5-4-10-27-17/h4-10,16H,3,11-12H2,1-2H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeySNJIUOXIGPZMGM-UHFFFAOYSA-N
XLogP2.47
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide
CID 55573033
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 46697558
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46508205
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46601070
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32940179
3-acetamido-N-cyano-3-thiophen-2-ylpropanamide
CID 79193756
(3R)-3-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropanamide
CID 26027113
(3R)-3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-thiophen-2-ylpropanamide
CID 26062626
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide
CID 51309268
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide (CID 46593487) is 3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide is CCNC(=O)COc1ccc(NC(=O)CC(NC(C)=O)c2cccs2)cc1.
What is the InChIKey of 3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide?
The InChIKey is SNJIUOXIGPZMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-3-20-19(25)12-26-15-8-6-14(7-9-15)22-18(24)11-16(21-13(2)23)17-5-4-10-27-17/h4-10,16H,3,11-12H2,1-2H3,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of 3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide?
3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide has a molecular weight of 389.48 g/mol, XLogP of 2.47, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 46593487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).