N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide

C11H13BrN2O2S — CID 47439395

IUPACN-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide
SMILESC=C(Br)CNC(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C11H13BrN2O2S/c1-8(12)7-14-10(15)4-5-13-11(16)9-3-2-6-17-9/h2-3,6H,1,4-5,7H2,(H,13,16)(H,14,15)
InChIKeyOIEBCJAPTWCNPV-UHFFFAOYSA-N
MW317.21 g/mol
LogP1.89
Rot. Bonds6

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

N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 47439395) has the molecular formula C11H13BrN2O2S and a molecular weight of 317.21 g/mol. Its IUPAC name is N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID47439395
Molecular FormulaC11H13BrN2O2S
Molecular Weight317.21 g/mol
Exact Mass315.99
IUPAC NameN-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide
SMILESC=C(Br)CNC(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C11H13BrN2O2S/c1-8(12)7-14-10(15)4-5-13-11(16)9-3-2-6-17-9/h2-3,6H,1,4-5,7H2,(H,13,16)(H,14,15)
InChIKeyOIEBCJAPTWCNPV-UHFFFAOYSA-N
XLogP1.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47438669
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 43043080
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 104927828
N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 111428615
N-(2-ethylsulfinylethyl)thiophene-2-carboxamide
CID 115626836
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 119524372
N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
CID 51266033
2-methyl-5-[3-(thiophene-2-carbonylamino)propanoylamino]pentanoic acid
CID 104682695

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide (CID 47439395) is N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide is C=C(Br)CNC(=O)CCNC(=O)c1cccs1.
What is the InChIKey of N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is OIEBCJAPTWCNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S/c1-8(12)7-14-10(15)4-5-13-11(16)9-3-2-6-17-9/h2-3,6H,1,4-5,7H2,(H,13,16)(H,14,15).
What are the key properties of N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide?
N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 317.21 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 47439395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).