N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(3-hydroxyphenyl)thiophene-2-carboxamide

C22H19N3O3S — CID 46900244

IUPACN-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(3-hydroxyphenyl)thiophene-2-carboxamide
SMILESNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2cccc(O)c2)s1
InChIInChI=1S/C22H19N3O3S/c23-21(27)18(11-14-12-24-17-7-2-1-6-16(14)17)25-22(28)20-9-8-19(29-20)13-4-3-5-15(26)10-13/h1-10,12,18,24,26H,11H2,(H2,23,27)(H,25,28)
InChIKeyJXNDZOQFCNJBPA-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.43
Rot. Bonds6

About N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(3-hydroxyphenyl)thiophene-2-carboxamide

N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(3-hydroxyphenyl)thiophene-2-carboxamide (PubChem CID 46900244) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(3-hydroxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(3-hydroxyphenyl)thiophene-2-carboxamide
PubChem CID46900244
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(3-hydroxyphenyl)thiophene-2-carboxamide
SMILESNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2cccc(O)c2)s1
InChIInChI=1S/C22H19N3O3S/c23-21(27)18(11-14-12-24-17-7-2-1-6-16(14)17)25-22(28)20-9-8-19(29-20)13-4-3-5-15(26)10-13/h1-10,12,18,24,26H,11H2,(H2,23,27)(H,25,28)
InChIKeyJXNDZOQFCNJBPA-UHFFFAOYSA-N
XLogP3.43
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylpentanamide
CID 129132728
5-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 166842954
methyl (2R)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoate
CID 33244587
(2S)-2-[[3-[[(1S)-1-carboxylato-2-(1H-indol-3-yl)ethyl]carbamoyl]benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 6999230
methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 6923544
(2S)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[(2-sulfanylacetyl)amino]butanediamide
CID 46882333
tert-butyl N-[(2R)-1-[[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 131724766
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
CID 59929836
(3R)-3-acetamido-4-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 170278600
N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(quinolin-2-ylsulfanylmethyl)benzamide
CID 44762610
2-acetamido-3-(1H-indol-3-yl)propanamide;propyl 2-acetamido-3-(1H-indol-3-yl)propanoate
CID 69130545
3-(1H-indol-3-yl)-2-[(1-methylpyrrol-2-yl)methylamino]propanamide
CID 177167804

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(3-hydroxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(3-hydroxyphenyl)thiophene-2-carboxamide (CID 46900244) is N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(3-hydroxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(3-hydroxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(3-hydroxyphenyl)thiophene-2-carboxamide is NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(-c2cccc(O)c2)s1.
What is the InChIKey of N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(3-hydroxyphenyl)thiophene-2-carboxamide?
The InChIKey is JXNDZOQFCNJBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c23-21(27)18(11-14-12-24-17-7-2-1-6-16(14)17)25-22(28)20-9-8-19(29-20)13-4-3-5-15(26)10-13/h1-10,12,18,24,26H,11H2,(H2,23,27)(H,25,28).
What are the key properties of N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(3-hydroxyphenyl)thiophene-2-carboxamide?
N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(3-hydroxyphenyl)thiophene-2-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(3-hydroxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 46900244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).