4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide

C11H15Br2NOS — CID 38983446

IUPAC4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide
SMILESCC(C)(C)CCNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H15Br2NOS/c1-11(2,3)4-5-14-10(15)8-6-7(12)9(13)16-8/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyFSZIMPDPUPGFIC-UHFFFAOYSA-N
MW369.12 g/mol
LogP4.44
Rot. Bonds3

About 4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide

4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide (PubChem CID 38983446) has the molecular formula C11H15Br2NOS and a molecular weight of 369.12 g/mol. Its IUPAC name is 4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide
PubChem CID38983446
Molecular FormulaC11H15Br2NOS
Molecular Weight369.12 g/mol
Exact Mass366.92
IUPAC Name4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide
SMILESCC(C)(C)CCNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H15Br2NOS/c1-11(2,3)4-5-14-10(15)8-6-7(12)9(13)16-8/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyFSZIMPDPUPGFIC-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.12
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dibromo-N-butylthiophene-2-carboxamide
CID 29203844
4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide
CID 79036871
4,5-dibromo-N-decylthiophene-2-carboxamide
CID 80536454
1-(4,5-dibromothiophen-2-yl)-4,4-dimethylpentan-1-one
CID 114970028
N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide
CID 80537023
4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide
CID 104581157
4,5-dibromo-N-tert-butylthiophene-2-carboxamide
CID 15790561
4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide
CID 82994332
5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid
CID 62033410
4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide
CID 114309271
4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 19205118
N-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide
CID 80538796

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide (CID 38983446) is 4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide is CC(C)(C)CCNC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide?
The InChIKey is FSZIMPDPUPGFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NOS/c1-11(2,3)4-5-14-10(15)8-6-7(12)9(13)16-8/h6H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide?
4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide has a molecular weight of 369.12 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 38983446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).