2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide

C19H21N3O2S — CID 74629777

IUPAC2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1sccc1C
InChIInChI=1S/C19H21N3O2S/c1-12-7-8-25-18(12)11-21-19(24)17(22-13(2)23)9-14-10-20-16-6-4-3-5-15(14)16/h3-8,10,17,20H,9,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyDCCKZPDGHZGTEY-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.90
Rot. Bonds6

About 2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide

2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide (PubChem CID 74629777) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
PubChem CID74629777
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1sccc1C
InChIInChI=1S/C19H21N3O2S/c1-12-7-8-25-18(12)11-21-19(24)17(22-13(2)23)9-14-10-20-16-6-4-3-5-15(14)16/h3-8,10,17,20H,9,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyDCCKZPDGHZGTEY-UHFFFAOYSA-N
XLogP2.90
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 2206716
ethyl 2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]acetate
CID 101206740
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
2-acetamido-3-(1H-indol-3-yl)-N-(1H-indol-2-ylmethyl)propanamide
CID 47086404
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 39978358
(2S)-2-acetamido-N-[(2,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 35806397
2-acetamido-N-(1H-benzimidazol-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 78790797
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CID 51926679
2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51164456
2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 46421755
(2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(1H-indol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide (CID 74629777) is 2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1sccc1C.
What is the InChIKey of 2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is DCCKZPDGHZGTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-7-8-25-18(12)11-21-19(24)17(22-13(2)23)9-14-10-20-16-6-4-3-5-15(14)16/h3-8,10,17,20H,9,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide?
2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 355.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(1H-indol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 74629777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).