N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide

C16H17BrN2OS — CID 43766323

IUPACN-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide
SMILESCC(Nc1cccc(NC(=O)C2CC2)c1)c1sccc1Br
InChIInChI=1S/C16H17BrN2OS/c1-10(15-14(17)7-8-21-15)18-12-3-2-4-13(9-12)19-16(20)11-5-6-11/h2-4,7-11,18H,5-6H2,1H3,(H,19,20)
InChIKeyZZETYDGHLDXVMS-UHFFFAOYSA-N
MW365.30 g/mol
LogP5.03
Rot. Bonds5

About N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide

N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide (PubChem CID 43766323) has the molecular formula C16H17BrN2OS and a molecular weight of 365.30 g/mol. Its IUPAC name is N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide
PubChem CID43766323
Molecular FormulaC16H17BrN2OS
Molecular Weight365.30 g/mol
Exact Mass364.02
IUPAC NameN-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide
SMILESCC(Nc1cccc(NC(=O)C2CC2)c1)c1sccc1Br
InChIInChI=1S/C16H17BrN2OS/c1-10(15-14(17)7-8-21-15)18-12-3-2-4-13(9-12)19-16(20)11-5-6-11/h2-4,7-11,18H,5-6H2,1H3,(H,19,20)
InChIKeyZZETYDGHLDXVMS-UHFFFAOYSA-N
XLogP5.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.30
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 60999470
tert-butyl N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]carbamate
CID 107239784
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
N-[1-(3-bromothiophen-2-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 60943943
N-[3-(5-methylhexan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 43201742
N-[1-(3-bromothiophen-2-yl)ethyl]-3-butan-2-yloxyaniline
CID 63477114
methyl 2-[3-(cyclopropanecarbonylamino)anilino]propanoate
CID 66173088
N-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide
CID 43786026
N-[3-[1-(2-methylpyrazol-3-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 106756909
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942
3-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 43787438

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide (CID 43766323) is N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide is CC(Nc1cccc(NC(=O)C2CC2)c1)c1sccc1Br.
What is the InChIKey of N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is ZZETYDGHLDXVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2OS/c1-10(15-14(17)7-8-21-15)18-12-3-2-4-13(9-12)19-16(20)11-5-6-11/h2-4,7-11,18H,5-6H2,1H3,(H,19,20).
What are the key properties of N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide?
N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 365.30 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 43766323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).