N-[1-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

C23H20ClN5O3S — CID 4557310

IUPACN-[1-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESO=C(NNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H20ClN5O3S/c24-15-7-9-16(10-8-15)26-23(32)29-28-21(30)19(27-22(31)20-6-3-11-33-20)12-14-13-25-18-5-2-1-4-17(14)18/h1-11,13,19,25H,12H2,(H,27,31)(H,28,30)(H2,26,29,32)
InChIKeyYYTOIZFZOCMOQH-UHFFFAOYSA-N
MW481.97 g/mol
LogP4.08
Rot. Bonds6

About N-[1-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 4557310) has the molecular formula C23H20ClN5O3S and a molecular weight of 481.97 g/mol. Its IUPAC name is N-[1-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID4557310
Molecular FormulaC23H20ClN5O3S
Molecular Weight481.97 g/mol
Exact Mass481.10
IUPAC NameN-[1-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESO=C(NNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H20ClN5O3S/c24-15-7-9-16(10-8-15)26-23(32)29-28-21(30)19(27-22(31)20-6-3-11-33-20)12-14-13-25-18-5-2-1-4-17(14)18/h1-11,13,19,25H,12H2,(H,27,31)(H,28,30)(H2,26,29,32)
InChIKeyYYTOIZFZOCMOQH-UHFFFAOYSA-N
XLogP4.08
TPSA115.12 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.97
LogP ≤ 54.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-[2-[(3,4-dichlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 2317424
N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]thiophene-2-carboxamide
CID 40797397
(2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 23738438
methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 6923544
N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 10338092
N-[(2S)-1-[2-(4-ethoxybenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55937049
N-[1-[2-(3,4-dihydro-2H-pyrrol-5-yl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 3559323
N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46415886
N-[1-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55727873
N-[3-(1H-indol-3-yl)-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46424980
N-[3-(1H-indol-3-yl)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46555681
N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 2465140

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 4557310) is N-[1-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is O=C(NNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[1-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is YYTOIZFZOCMOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O3S/c24-15-7-9-16(10-8-15)26-23(32)29-28-21(30)19(27-22(31)20-6-3-11-33-20)12-14-13-25-18-5-2-1-4-17(14)18/h1-11,13,19,25H,12H2,(H,27,31)(H,28,30)(H2,26,29,32).
What are the key properties of N-[1-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 481.97 g/mol, XLogP of 4.08, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(4-chlorophenyl)carbamoyl]hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 4557310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).