(2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide

C14H13BrN2OS — CID 61165378

IUPAC(2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(Br)s1)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H13BrN2OS/c15-13-6-5-10(19-13)8-16-14(18)12-7-9-3-1-2-4-11(9)17-12/h1-6,12,17H,7-8H2,(H,16,18)/t12-/m0/s1
InChIKeyJXTFVCPBCSCWDL-LBPRGKRZSA-N
MW337.24 g/mol
LogP3.16
Rot. Bonds3

About (2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61165378) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is (2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61165378
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC Name(2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(Br)s1)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H13BrN2OS/c15-13-6-5-10(19-13)8-16-14(18)12-7-9-3-1-2-4-11(9)17-12/h1-6,12,17H,7-8H2,(H,16,18)/t12-/m0/s1
InChIKeyJXTFVCPBCSCWDL-LBPRGKRZSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61402453
N-[(4-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76892488
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76895076
N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76988868
N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 113221726
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76923479
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 104931777
(2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61148810
N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106896010
N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76895269
(2S)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147921

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 61165378) is (2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is O=C(NCc1ccc(Br)s1)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is JXTFVCPBCSCWDL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c15-13-6-5-10(19-13)8-16-14(18)12-7-9-3-1-2-4-11(9)17-12/h1-6,12,17H,7-8H2,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 337.24 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61165378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).