N-[3-(3-morpholin-4-ylanilino)-3-oxopropyl]thiophene-3-carboxamide

C18H21N3O3S — CID 55951920

IUPACN-[3-(3-morpholin-4-ylanilino)-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)Nc1cccc(N2CCOCC2)c1
InChIInChI=1S/C18H21N3O3S/c22-17(4-6-19-18(23)14-5-11-25-13-14)20-15-2-1-3-16(12-15)21-7-9-24-10-8-21/h1-3,5,11-13H,4,6-10H2,(H,19,23)(H,20,22)
InChIKeyPTJMLIMDYOFJSI-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.34
Rot. Bonds6

About N-[3-(3-morpholin-4-ylanilino)-3-oxopropyl]thiophene-3-carboxamide

N-[3-(3-morpholin-4-ylanilino)-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 55951920) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[3-(3-morpholin-4-ylanilino)-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-morpholin-4-ylanilino)-3-oxopropyl]thiophene-3-carboxamide
PubChem CID55951920
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[3-(3-morpholin-4-ylanilino)-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)Nc1cccc(N2CCOCC2)c1
InChIInChI=1S/C18H21N3O3S/c22-17(4-6-19-18(23)14-5-11-25-13-14)20-15-2-1-3-16(12-15)21-7-9-24-10-8-21/h1-3,5,11-13H,4,6-10H2,(H,19,23)(H,20,22)
InChIKeyPTJMLIMDYOFJSI-UHFFFAOYSA-N
XLogP2.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 55375880
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 30267459
N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 78802763
N-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide
CID 87042458
3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylphenyl)propanamide
CID 71938578
N-[3-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 38440723
N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide
CID 46580901
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 30495442
N-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide
CID 55783677
N-[3-[(4-hydroxyoxan-4-yl)methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 79037145
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110426277
3-acetamido-N-(3-piperidin-1-ylphenyl)propanamide
CID 110426221

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-morpholin-4-ylanilino)-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(3-morpholin-4-ylanilino)-3-oxopropyl]thiophene-3-carboxamide (CID 55951920) is N-[3-(3-morpholin-4-ylanilino)-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(3-morpholin-4-ylanilino)-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(3-morpholin-4-ylanilino)-3-oxopropyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)Nc1cccc(N2CCOCC2)c1.
What is the InChIKey of N-[3-(3-morpholin-4-ylanilino)-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is PTJMLIMDYOFJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-17(4-6-19-18(23)14-5-11-25-13-14)20-15-2-1-3-16(12-15)21-7-9-24-10-8-21/h1-3,5,11-13H,4,6-10H2,(H,19,23)(H,20,22).
What are the key properties of N-[3-(3-morpholin-4-ylanilino)-3-oxopropyl]thiophene-3-carboxamide?
N-[3-(3-morpholin-4-ylanilino)-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-morpholin-4-ylanilino)-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 55951920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).