N-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide

C14H12Br2N2O2S — CID 39166512

IUPACN-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)Nc1cc(Br)ccc1Br
InChIInChI=1S/C14H12Br2N2O2S/c15-10-1-2-11(16)12(7-10)18-13(19)3-5-17-14(20)9-4-6-21-8-9/h1-2,4,6-8H,3,5H2,(H,17,20)(H,18,19)
InChIKeyBIJDBCXURSPSQH-UHFFFAOYSA-N
MW432.14 g/mol
LogP4.03
Rot. Bonds5

About N-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide

N-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 39166512) has the molecular formula C14H12Br2N2O2S and a molecular weight of 432.14 g/mol. Its IUPAC name is N-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide
PubChem CID39166512
Molecular FormulaC14H12Br2N2O2S
Molecular Weight432.14 g/mol
Exact Mass429.90
IUPAC NameN-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(CCNC(=O)c1ccsc1)Nc1cc(Br)ccc1Br
InChIInChI=1S/C14H12Br2N2O2S/c15-10-1-2-11(16)12(7-10)18-13(19)3-5-17-14(20)9-4-6-21-8-9/h1-2,4,6-8H,3,5H2,(H,17,20)(H,18,19)
InChIKeyBIJDBCXURSPSQH-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.14
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 27781556
N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 30268724
N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 17499617
N-[4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 30300204
N-[3-(5-tert-butyl-2-hydroxyanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 29265430
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 30266946
N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 18106915
N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 78802763
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[2-[(2,5-dibromophenyl)carbamoylamino]ethyl]benzamide
CID 55698403
N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 18126266
N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide
CID 46580901

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide (CID 39166512) is N-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide is O=C(CCNC(=O)c1ccsc1)Nc1cc(Br)ccc1Br.
What is the InChIKey of N-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is BIJDBCXURSPSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2S/c15-10-1-2-11(16)12(7-10)18-13(19)3-5-17-14(20)9-4-6-21-8-9/h1-2,4,6-8H,3,5H2,(H,17,20)(H,18,19).
What are the key properties of N-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide?
N-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 432.14 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 39166512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).