N-[1-(1H-indol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C22H19N3O2S — CID 118296458

IUPACN-[1-(1H-indol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1cccc2cc[nH]c12)c1cccs1
InChIInChI=1S/C22H19N3O2S/c26-21(24-17-9-4-8-16-11-12-23-20(16)17)18(14-15-6-2-1-3-7-15)25-22(27)19-10-5-13-28-19/h1-13,18,23H,14H2,(H,24,26)(H,25,27)
InChIKeyORROUQITINWVTO-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.21
Rot. Bonds6

About N-[1-(1H-indol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[1-(1H-indol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 118296458) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[1-(1H-indol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-indol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
PubChem CID118296458
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-[1-(1H-indol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1cccc2cc[nH]c12)c1cccs1
InChIInChI=1S/C22H19N3O2S/c26-21(24-17-9-4-8-16-11-12-23-20(16)17)18(14-15-6-2-1-3-7-15)25-22(27)19-10-5-13-28-19/h1-13,18,23H,14H2,(H,24,26)(H,25,27)
InChIKeyORROUQITINWVTO-UHFFFAOYSA-N
XLogP4.21
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 118296365
N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55345705
N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2428943
N-[1-(1-hydroxybutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 110878206
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119629092
(2R)-4-methyl-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]pentanoic acid
CID 119364594
N-[1-[2-(ethylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 119507944
N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 36670866
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55334887
(2S)-2-[[3-phenyl-2-(thiophene-2-carbonylamino)propanoyl]amino]hexanoic acid
CID 120615307
N-[(2S)-1-oxo-1-(2-phenoxyethylamino)-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 32933462
N-[1-[[(2Z,5Z)-9-methylidene-1,4-dihydroazonin-8-yl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 174033118

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(1H-indol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 118296458) is N-[1-(1H-indol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1H-indol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(1H-indol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is O=C(NC(Cc1ccccc1)C(=O)Nc1cccc2cc[nH]c12)c1cccs1.
What is the InChIKey of N-[1-(1H-indol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is ORROUQITINWVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-21(24-17-9-4-8-16-11-12-23-20(16)17)18(14-15-6-2-1-3-7-15)25-22(27)19-10-5-13-28-19/h1-13,18,23H,14H2,(H,24,26)(H,25,27).
What are the key properties of N-[1-(1H-indol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
N-[1-(1H-indol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 118296458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).