N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide

C21H17BrN2OS — CID 35124002

IUPACN-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H](c1ccc(Br)cc1)c1c[nH]c2ccccc12)c1cccs1
InChIInChI=1S/C21H17BrN2OS/c22-15-9-7-14(8-10-15)17(12-24-21(25)20-6-3-11-26-20)18-13-23-19-5-2-1-4-16(18)19/h1-11,13,17,23H,12H2,(H,24,25)/t17-/m0/s1
InChIKeyBIXPHAMUJVJKNN-KRWDZBQOSA-N
MW425.35 g/mol
LogP5.55
Rot. Bonds5

About N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide

N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 35124002) has the molecular formula C21H17BrN2OS and a molecular weight of 425.35 g/mol. Its IUPAC name is N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide
PubChem CID35124002
Molecular FormulaC21H17BrN2OS
Molecular Weight425.35 g/mol
Exact Mass424.02
IUPAC NameN-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H](c1ccc(Br)cc1)c1c[nH]c2ccccc12)c1cccs1
InChIInChI=1S/C21H17BrN2OS/c22-15-9-7-14(8-10-15)17(12-24-21(25)20-6-3-11-26-20)18-13-23-19-5-2-1-4-16(18)19/h1-11,13,17,23H,12H2,(H,24,25)/t17-/m0/s1
InChIKeyBIXPHAMUJVJKNN-KRWDZBQOSA-N
XLogP5.55
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.35
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide
CID 4880396
N-[2-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 60519954
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 24666522
N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35124184
N-[2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 43842707
2-bromo-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 17014637
2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243574
N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide
CID 35127246
N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-2-oxochromene-3-carboxamide
CID 35127238
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51479387
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide (CID 35124002) is N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide is O=C(NC[C@@H](c1ccc(Br)cc1)c1c[nH]c2ccccc12)c1cccs1.
What is the InChIKey of N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is BIXPHAMUJVJKNN-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H17BrN2OS/c22-15-9-7-14(8-10-15)17(12-24-21(25)20-6-3-11-26-20)18-13-23-19-5-2-1-4-16(18)19/h1-11,13,17,23H,12H2,(H,24,25)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide?
N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 425.35 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 35124002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).