N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide

C19H23N3O3S — CID 9409506

IUPACN,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C19H23N3O3S/c1-14-3-8-17(26-14)19(24)21(2)13-18(23)20-15-4-6-16(7-5-15)22-9-11-25-12-10-22/h3-8H,9-13H2,1-2H3,(H,20,23)
InChIKeyHUJIDYVFFPSNMC-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.60
Rot. Bonds5

About N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide

N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 9409506) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID9409506
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C19H23N3O3S/c1-14-3-8-17(26-14)19(24)21(2)13-18(23)20-15-4-6-16(7-5-15)22-9-11-25-12-10-22/h3-8H,9-13H2,1-2H3,(H,20,23)
InChIKeyHUJIDYVFFPSNMC-UHFFFAOYSA-N
XLogP2.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 11711363
N-(3-fluoro-4-morpholinophenyl)-2-thiophenecarboxamide
CID 1485336
Piperazine, 1-phenyl-4-(2-thenoyl)-
CID 259478
N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
CID 2813415
4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 3902828
4-ethyl-5-methyl-N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 9506651
1-{5-[(3-Anilino-1-piperidinyl)carbonyl]-2-thienyl}ethanone
CID 24791777
CID 122196547
CID 122196547
N-((4-morpholinophenyl)carbamothioyl)thiophene-2-carboxamide
CID 718042
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1081265
N-[[(5S)-3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 44403903
{4-[4-(2-Thienylcarbonyl)piperazin-1-yl]phenyl}amine
CID 1154358

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 9409506) is N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)s1.
What is the InChIKey of N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is HUJIDYVFFPSNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14-3-8-17(26-14)19(24)21(2)13-18(23)20-15-4-6-16(7-5-15)22-9-11-25-12-10-22/h3-8H,9-13H2,1-2H3,(H,20,23).
What are the key properties of N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide?
N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 9409506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).