2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide

C13H10BrN3OS — CID 17428824

IUPAC2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide
SMILESN#Cc1ccsc1NC(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C13H10BrN3OS/c14-10-1-3-11(4-2-10)16-8-12(18)17-13-9(7-15)5-6-19-13/h1-6,16H,8H2,(H,17,18)
InChIKeyVFHRPVRVHXZESM-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.43
Rot. Bonds4

About 2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide

2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide (PubChem CID 17428824) has the molecular formula C13H10BrN3OS and a molecular weight of 336.21 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide
PubChem CID17428824
Molecular FormulaC13H10BrN3OS
Molecular Weight336.21 g/mol
Exact Mass334.97
IUPAC Name2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide
SMILESN#Cc1ccsc1NC(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C13H10BrN3OS/c14-10-1-3-11(4-2-10)16-8-12(18)17-13-9(7-15)5-6-19-13/h1-6,16H,8H2,(H,17,18)
InChIKeyVFHRPVRVHXZESM-UHFFFAOYSA-N
XLogP3.43
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 8544238
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 43466026
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263781
N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
CID 17374418
N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide
CID 62317531
N-(3-cyanothiophen-2-yl)-2-(prop-2-enylamino)acetamide
CID 78908509
2-(4-bromo-2-cyanoanilino)-N-(4-bromophenyl)acetamide
CID 78994184
2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide
CID 114327374
N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605028
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2R)-2-(4-bromophenoxy)propanoate
CID 7742987
4-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]butanoic acid
CID 43473525
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide
CID 25481993

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide (CID 17428824) is 2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide is N#Cc1ccsc1NC(=O)CNc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide?
The InChIKey is VFHRPVRVHXZESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3OS/c14-10-1-3-11(4-2-10)16-8-12(18)17-13-9(7-15)5-6-19-13/h1-6,16H,8H2,(H,17,18).
What are the key properties of 2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide?
2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide has a molecular weight of 336.21 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-(3-cyanothiophen-2-yl)acetamide is sourced from PubChem (CID 17428824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).