N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide

C15H13N3O2S — CID 17497876

IUPACN-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESN#Cc1cccc(NC(=O)CCNC(=O)c2cccs2)c1
InChIInChI=1S/C15H13N3O2S/c16-10-11-3-1-4-12(9-11)18-14(19)6-7-17-15(20)13-5-2-8-21-13/h1-5,8-9H,6-7H2,(H,17,20)(H,18,19)
InChIKeyQWMXUMILSYHMSG-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.38
Rot. Bonds5

About N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide

N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 17497876) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID17497876
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESN#Cc1cccc(NC(=O)CCNC(=O)c2cccs2)c1
InChIInChI=1S/C15H13N3O2S/c16-10-11-3-1-4-12(9-11)18-14(19)6-7-17-15(20)13-5-2-8-21-13/h1-5,8-9H,6-7H2,(H,17,20)(H,18,19)
InChIKeyQWMXUMILSYHMSG-UHFFFAOYSA-N
XLogP2.38
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-ethynylanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 51337792
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497033
N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 46421922
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-(3-cyanophenyl)-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide
CID 31996879
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
3-(thiophene-2-carbonylamino)propyl 3-cyanobenzoate
CID 84562559
[3-(3-cyanoanilino)-3-oxopropyl]phosphonic acid
CID 125478329
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497310
N-[3-(3-cyanoanilino)-3-oxopropyl]-4-(2-methylphenyl)benzamide
CID 142065302

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide (CID 17497876) is N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide is N#Cc1cccc(NC(=O)CCNC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is QWMXUMILSYHMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c16-10-11-3-1-4-12(9-11)18-14(19)6-7-17-15(20)13-5-2-8-21-13/h1-5,8-9H,6-7H2,(H,17,20)(H,18,19).
What are the key properties of N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide?
N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 17497876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).