N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide

C18H21N3O3S — CID 51180135

IUPACN-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C18H21N3O3S/c22-17(7-8-19-18(23)16-6-3-13-25-16)20-14-4-1-2-5-15(14)21-9-11-24-12-10-21/h1-6,13H,7-12H2,(H,19,23)(H,20,22)
InChIKeyBWFDKADLQCSTNZ-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.34
Rot. Bonds6

About N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide

N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 51180135) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID51180135
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C18H21N3O3S/c22-17(7-8-19-18(23)16-6-3-13-25-16)20-14-4-1-2-5-15(14)21-9-11-24-12-10-21/h1-6,13H,7-12H2,(H,19,23)(H,20,22)
InChIKeyBWFDKADLQCSTNZ-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-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 24660504
N-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 17438743
N-[4-[2-(azepan-1-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 24660506
N-[(2-morpholin-4-ylphenyl)carbamoyl]thiophene-2-carboxamide
CID 110866569
N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]furan-2-carboxamide
CID 2521701
3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 109037337
N-[3-oxo-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]thiophene-2-carboxamide
CID 47037132
N-(2-morpholin-4-ylphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024044
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide
CID 109037056
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
N-(2-morpholin-4-ylphenyl)-3-piperidin-1-ylpropanamide
CID 110688369

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide (CID 51180135) is N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide is O=C(CCNC(=O)c1cccs1)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is BWFDKADLQCSTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-17(7-8-19-18(23)16-6-3-13-25-16)20-14-4-1-2-5-15(14)21-9-11-24-12-10-21/h1-6,13H,7-12H2,(H,19,23)(H,20,22).
What are the key properties of N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide?
N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-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-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 51180135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).