4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide

C10H11Br2NOS — CID 79036871

IUPAC4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide
SMILESO=C(NCCC1CC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H11Br2NOS/c11-7-5-8(15-9(7)12)10(14)13-4-3-6-1-2-6/h5-6H,1-4H2,(H,13,14)
InChIKeyYPDJPTJEYXXUCX-UHFFFAOYSA-N
MW353.08 g/mol
LogP3.80
Rot. Bonds4

About 4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide

4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide (PubChem CID 79036871) has the molecular formula C10H11Br2NOS and a molecular weight of 353.08 g/mol. Its IUPAC name is 4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide
PubChem CID79036871
Molecular FormulaC10H11Br2NOS
Molecular Weight353.08 g/mol
Exact Mass350.89
IUPAC Name4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide
SMILESO=C(NCCC1CC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H11Br2NOS/c11-7-5-8(15-9(7)12)10(14)13-4-3-6-1-2-6/h5-6H,1-4H2,(H,13,14)
InChIKeyYPDJPTJEYXXUCX-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.08
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-(cyclohexylmethyl)thiophene-2-carboxamide
CID 78906806
4,5-dibromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
CID 115306468
4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide
CID 38983446
N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide
CID 80537023
4,5-dibromo-N-butylthiophene-2-carboxamide
CID 29203844
4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide
CID 114309271
4,5-dibromo-N-decylthiophene-2-carboxamide
CID 80536454
5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid
CID 62033410
4,5-dibromo-N-[(2-hydroxycyclohexyl)methyl]thiophene-2-carboxamide
CID 64929121
4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766
4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide
CID 104581157
4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 19205118

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide (CID 79036871) is 4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide is O=C(NCCC1CC1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide?
The InChIKey is YPDJPTJEYXXUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NOS/c11-7-5-8(15-9(7)12)10(14)13-4-3-6-1-2-6/h5-6H,1-4H2,(H,13,14).
What are the key properties of 4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide?
4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide has a molecular weight of 353.08 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 79036871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).