N-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide

C14H15BrN2OS — CID 80506518

IUPACN-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide
SMILESNC(CCNC(=O)c1sccc1Br)c1ccccc1
InChIInChI=1S/C14H15BrN2OS/c15-11-7-9-19-13(11)14(18)17-8-6-12(16)10-4-2-1-3-5-10/h1-5,7,9,12H,6,8,16H2,(H,17,18)
InChIKeyXCJYWQFAGNUONS-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.33
Rot. Bonds5

About N-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide

N-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide (PubChem CID 80506518) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide
PubChem CID80506518
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC NameN-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide
SMILESNC(CCNC(=O)c1sccc1Br)c1ccccc1
InChIInChI=1S/C14H15BrN2OS/c15-11-7-9-19-13(11)14(18)17-8-6-12(16)10-4-2-1-3-5-10/h1-5,7,9,12H,6,8,16H2,(H,17,18)
InChIKeyXCJYWQFAGNUONS-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide
CID 80506631
4-[(3-bromothiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538498
N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide
CID 80506792
3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide
CID 47220275
3-bromo-N-(2-phenylsulfanylethyl)thiophene-2-carboxamide
CID 47219653
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
N-(3-amino-3-phenylpropyl)-3-bromobenzamide
CID 80506719
3-bromo-N-(4-chloropentyl)thiophene-2-carboxamide
CID 106129487
N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 63120577
N-(3-amino-3-phenylpropyl)-2-ethylbutanamide
CID 80506593
N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide
CID 107705147

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide (CID 80506518) is N-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide is NC(CCNC(=O)c1sccc1Br)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide?
The InChIKey is XCJYWQFAGNUONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c15-11-7-9-19-13(11)14(18)17-8-6-12(16)10-4-2-1-3-5-10/h1-5,7,9,12H,6,8,16H2,(H,17,18).
What are the key properties of N-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide?
N-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide has a molecular weight of 339.26 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide is sourced from PubChem (CID 80506518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).