N-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide

C15H14BrNOS — CID 33172291

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(Br)s1)C1(c2ccccc2)CC1
InChIInChI=1S/C15H14BrNOS/c16-13-7-6-12(19-13)10-17-14(18)15(8-9-15)11-4-2-1-3-5-11/h1-7H,8-10H2,(H,17,18)
InChIKeyIUUSWKWBPJUBKG-UHFFFAOYSA-N
MW336.25 g/mol
LogP3.86
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 33172291) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID33172291
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(Br)s1)C1(c2ccccc2)CC1
InChIInChI=1S/C15H14BrNOS/c16-13-7-6-12(19-13)10-17-14(18)15(8-9-15)11-4-2-1-3-5-11/h1-7H,8-10H2,(H,17,18)
InChIKeyIUUSWKWBPJUBKG-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 2517264
1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide
CID 81173121
1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119292901
N-[(5-bromothiophen-2-yl)methyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183015
2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone
CID 63410287
1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 30944923
2-[1-[(5-bromothiophen-2-yl)methylcarbamoylamino]cyclobutyl]acetic acid
CID 79852022
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82765475
N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide
CID 134034329
4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120925200
(2S)-2-[(5-bromothiophen-2-yl)methylcarbamoylamino]-2-phenylacetic acid
CID 103995699

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide (CID 33172291) is N-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide is O=C(NCc1ccc(Br)s1)C1(c2ccccc2)CC1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is IUUSWKWBPJUBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c16-13-7-6-12(19-13)10-17-14(18)15(8-9-15)11-4-2-1-3-5-11/h1-7H,8-10H2,(H,17,18).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 336.25 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 33172291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).