4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide

C11H15Br2NOS — CID 80536635

IUPAC4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cc(Br)c(Br)s1)C(C)C
InChIInChI=1S/C11H15Br2NOS/c1-4-5-14(7(2)3)11(15)9-6-8(12)10(13)16-9/h6-7H,4-5H2,1-3H3
InChIKeyYWRBSEFERDJDFH-UHFFFAOYSA-N
MW369.12 g/mol
LogP4.53
Rot. Bonds4

About 4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide

4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide (PubChem CID 80536635) has the molecular formula C11H15Br2NOS and a molecular weight of 369.12 g/mol. Its IUPAC name is 4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide
PubChem CID80536635
Molecular FormulaC11H15Br2NOS
Molecular Weight369.12 g/mol
Exact Mass366.92
IUPAC Name4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cc(Br)c(Br)s1)C(C)C
InChIInChI=1S/C11H15Br2NOS/c1-4-5-14(7(2)3)11(15)9-6-8(12)10(13)16-9/h6-7H,4-5H2,1-3H3
InChIKeyYWRBSEFERDJDFH-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.12
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(4,5-dibromothiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 54896302
4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
CID 113222390
4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide
CID 78968180
4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 112729543
2,4-dibromo-N-propan-2-yl-N-propylbenzamide
CID 107951573
4,5-dibromo-N-[(4-methylphenyl)methyl]-N-propylthiophene-2-carboxamide
CID 78909790
4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 78968207
N-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide
CID 81483467
4,5-dibromo-N-[2-(dimethylamino)propyl]thiophene-2-carboxamide
CID 112726725
2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide
CID 65388515
4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 80537078
4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide
CID 102993490

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide (CID 80536635) is 4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide is CCCN(C(=O)c1cc(Br)c(Br)s1)C(C)C.
What is the InChIKey of 4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide?
The InChIKey is YWRBSEFERDJDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NOS/c1-4-5-14(7(2)3)11(15)9-6-8(12)10(13)16-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide?
4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide has a molecular weight of 369.12 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 80536635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).