3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide

C18H21N3O4S — CID 55573033

IUPAC3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide
SMILESCOCC(=O)Nc1ccc(NC(=O)CC(NC(C)=O)c2cccs2)cc1
InChIInChI=1S/C18H21N3O4S/c1-12(22)19-15(16-4-3-9-26-16)10-17(23)20-13-5-7-14(8-6-13)21-18(24)11-25-2/h3-9,15H,10-11H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyMBNNOIZPODPLHF-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.54
Rot. Bonds8

About 3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide

3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide (PubChem CID 55573033) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide
PubChem CID55573033
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide
SMILESCOCC(=O)Nc1ccc(NC(=O)CC(NC(C)=O)c2cccs2)cc1
InChIInChI=1S/C18H21N3O4S/c1-12(22)19-15(16-4-3-9-26-16)10-17(23)20-13-5-7-14(8-6-13)21-18(24)11-25-2/h3-9,15H,10-11H2,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyMBNNOIZPODPLHF-UHFFFAOYSA-N
XLogP2.54
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 46697558
3-acetamido-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-thiophen-2-ylpropanamide
CID 46593487
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46601070
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 46508205
3-acetamido-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-thiophen-2-ylpropanamide
CID 46568476
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]propanoate
CID 60712518
2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-3-methoxypropanoic acid
CID 81085010
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
(3R)-3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-thiophen-2-ylpropanamide
CID 26062626
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-acetamido-3-thiophen-2-ylpropanoate
CID 55508832
3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide
CID 51309268
3-(carbamoylamino)-N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpropanamide
CID 51311861

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide (CID 55573033) is 3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide is COCC(=O)Nc1ccc(NC(=O)CC(NC(C)=O)c2cccs2)cc1.
What is the InChIKey of 3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide?
The InChIKey is MBNNOIZPODPLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-12(22)19-15(16-4-3-9-26-16)10-17(23)20-13-5-7-14(8-6-13)21-18(24)11-25-2/h3-9,15H,10-11H2,1-2H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of 3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide?
3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide has a molecular weight of 375.45 g/mol, XLogP of 2.54, 8 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-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 55573033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).