N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide

C18H14BrNOS — CID 95151159

IUPACN-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C18H14BrNOS/c19-15-10-8-14(9-11-15)17(13-5-2-1-3-6-13)20-18(21)16-7-4-12-22-16/h1-12,17H,(H,20,21)/t17-/m0/s1
InChIKeyYFSMYIFBWIWDKZ-KRWDZBQOSA-N
MW372.29 g/mol
LogP5.03
Rot. Bonds4

About N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide

N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide (PubChem CID 95151159) has the molecular formula C18H14BrNOS and a molecular weight of 372.29 g/mol. Its IUPAC name is N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide
PubChem CID95151159
Molecular FormulaC18H14BrNOS
Molecular Weight372.29 g/mol
Exact Mass371.00
IUPAC NameN-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C18H14BrNOS/c19-15-10-8-14(9-11-15)17(13-5-2-1-3-6-13)20-18(21)16-7-4-12-22-16/h1-12,17H,(H,20,21)/t17-/m0/s1
InChIKeyYFSMYIFBWIWDKZ-KRWDZBQOSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.29
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 985107
N-[1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 3109865
(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 969744
N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]thiophene-2-carboxamide
CID 92500192
N-[(R)-(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2203223
N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide
CID 114300019
N-[(4-bromophenyl)-phenylmethyl]-4-fluorobenzamide
CID 2953170
N-(1-hydroxy-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 4122342
[2-phenyl-2-(thiophene-2-carbonylamino)ethyl] thiophene-2-carboxylate
CID 3585331
N-[1-[1-(4-bromophenyl)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299263
N-[1-(4-bromophenoxy)-2,2,2-trichloroethyl]thiophene-2-carboxamide
CID 45125850
N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51184874

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide (CID 95151159) is N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide is O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)c1cccs1.
What is the InChIKey of N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide?
The InChIKey is YFSMYIFBWIWDKZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H14BrNOS/c19-15-10-8-14(9-11-15)17(13-5-2-1-3-6-13)20-18(21)16-7-4-12-22-16/h1-12,17H,(H,20,21)/t17-/m0/s1.
What are the key properties of N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide?
N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide has a molecular weight of 372.29 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-bromophenyl)-phenylmethyl]thiophene-2-carboxamide is sourced from PubChem (CID 95151159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).