N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide

C18H22N2O3S — CID 134010279

IUPACN-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)CCNC(=O)c2ccsc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-3-23-16-6-4-14(5-7-16)13(2)20-17(21)8-10-19-18(22)15-9-11-24-12-15/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyLOWCBWDPKOJABJ-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.14
Rot. Bonds8

About N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 134010279) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID134010279
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)CCNC(=O)c2ccsc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-3-23-16-6-4-14(5-7-16)13(2)20-17(21)8-10-19-18(22)15-9-11-24-12-15/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyLOWCBWDPKOJABJ-UHFFFAOYSA-N
XLogP3.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 39966706
N-[3-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 39966705
N-[3-(5-methylhexan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 78803837
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 43043343
N-[3-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 55653851
N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide
CID 24683991
N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 46440747
N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 51292727
N-[3-(1,1-diphenylpropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 46432041
4-[[(2S)-2-aminopropanoyl]amino]-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 119345046
2-amino-N-[4-[1-(4-ethoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 119946012
3-(4-bromothiophen-2-yl)-N-[1-(4-ethoxyphenyl)ethyl]propanamide
CID 86897384

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide (CID 134010279) is N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide is CCOc1ccc(C(C)NC(=O)CCNC(=O)c2ccsc2)cc1.
What is the InChIKey of N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is LOWCBWDPKOJABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-23-16-6-4-14(5-7-16)13(2)20-17(21)8-10-19-18(22)15-9-11-24-12-15/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 134010279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).