5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide

C14H13Br2NOS — CID 47210807

IUPAC5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C14H13Br2NOS/c1-9(8-10-2-4-11(15)5-3-10)17-14(18)12-6-7-13(16)19-12/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyIBJKYNBPAWSACU-UHFFFAOYSA-N
MW403.14 g/mol
LogP4.63
Rot. Bonds4

About 5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide

5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide (PubChem CID 47210807) has the molecular formula C14H13Br2NOS and a molecular weight of 403.14 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide
PubChem CID47210807
Molecular FormulaC14H13Br2NOS
Molecular Weight403.14 g/mol
Exact Mass400.91
IUPAC Name5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)c1ccc(Br)s1
InChIInChI=1S/C14H13Br2NOS/c1-9(8-10-2-4-11(15)5-3-10)17-14(18)12-6-7-13(16)19-12/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyIBJKYNBPAWSACU-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.14
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
CID 47097752
N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625854
2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide
CID 79705015
(2R)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]propanamide;hydrochloride
CID 119295652
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
CID 62953884
3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropanoic acid
CID 62230124
5-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 114305407
(2S)-2-amino-N-[1-(4-bromophenyl)propan-2-yl]butanamide
CID 79024112
5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 95040081
4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 47210992
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 51891666

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide (CID 47210807) is 5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide is CC(Cc1ccc(Br)cc1)NC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide?
The InChIKey is IBJKYNBPAWSACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NOS/c1-9(8-10-2-4-11(15)5-3-10)17-14(18)12-6-7-13(16)19-12/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide?
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide has a molecular weight of 403.14 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 47210807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).