N-(3-cyanothiophen-2-yl)-3-(2,3-dichlorophenyl)propanamide

C14H10Cl2N2OS — CID 38907391

IUPACN-(3-cyanothiophen-2-yl)-3-(2,3-dichlorophenyl)propanamide
SMILESN#Cc1ccsc1NC(=O)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2N2OS/c15-11-3-1-2-9(13(11)16)4-5-12(19)18-14-10(8-17)6-7-20-14/h1-3,6-7H,4-5H2,(H,18,19)
InChIKeySBEYFMOPEOLTOB-UHFFFAOYSA-N
MW325.22 g/mol
LogP4.50
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-3-(2,3-dichlorophenyl)propanamide

N-(3-cyanothiophen-2-yl)-3-(2,3-dichlorophenyl)propanamide (PubChem CID 38907391) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-(2,3-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-(2,3-dichlorophenyl)propanamide
PubChem CID38907391
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC NameN-(3-cyanothiophen-2-yl)-3-(2,3-dichlorophenyl)propanamide
SMILESN#Cc1ccsc1NC(=O)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2N2OS/c15-11-3-1-2-9(13(11)16)4-5-12(19)18-14-10(8-17)6-7-20-14/h1-3,6-7H,4-5H2,(H,18,19)
InChIKeySBEYFMOPEOLTOB-UHFFFAOYSA-N
XLogP4.50
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-cyanothiophen-2-yl)benzamide
CID 2105085
3-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504
3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide
CID 38910581
3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide
CID 38886351
N-(3-cyanothiophen-2-yl)-4-(2,4-dichlorophenoxy)butanamide
CID 2970423
(4-chlorophenyl)methyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-methylazanium
CID 9040917
N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
CID 17374418
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 16524911
3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 43001145
3-(4-acetylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 8904188
3-(2,3-dichlorophenyl)-N-(3-nitrophenyl)propanamide
CID 38925954
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 43466026

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-(2,3-dichlorophenyl)propanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-(2,3-dichlorophenyl)propanamide (CID 38907391) is N-(3-cyanothiophen-2-yl)-3-(2,3-dichlorophenyl)propanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-(2,3-dichlorophenyl)propanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-(2,3-dichlorophenyl)propanamide is N#Cc1ccsc1NC(=O)CCc1cccc(Cl)c1Cl.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-(2,3-dichlorophenyl)propanamide?
The InChIKey is SBEYFMOPEOLTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/c15-11-3-1-2-9(13(11)16)4-5-12(19)18-14-10(8-17)6-7-20-14/h1-3,6-7H,4-5H2,(H,18,19).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-(2,3-dichlorophenyl)propanamide?
N-(3-cyanothiophen-2-yl)-3-(2,3-dichlorophenyl)propanamide has a molecular weight of 325.22 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-(2,3-dichlorophenyl)propanamide is sourced from PubChem (CID 38907391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).