N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-carboxamide

C18H18N4O3S — CID 39757148

IUPACN-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H18N4O3S/c23-16(7-8-19-18(25)15-6-3-9-26-15)21-22-17(24)10-12-11-20-14-5-2-1-4-13(12)14/h1-6,9,11,20H,7-8,10H2,(H,19,25)(H,21,23)(H,22,24)
InChIKeyDEFJSVPSRKGHQS-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.74
Rot. Bonds6

About N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 39757148) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID39757148
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H18N4O3S/c23-16(7-8-19-18(25)15-6-3-9-26-15)21-22-17(24)10-12-11-20-14-5-2-1-4-13(12)14/h1-6,9,11,20H,7-8,10H2,(H,19,25)(H,21,23)(H,22,24)
InChIKeyDEFJSVPSRKGHQS-UHFFFAOYSA-N
XLogP1.74
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.74
H-Bond Donors ≤ 54
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-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 26933063
N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid
CID 17365887
N-[1-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51301479
2-bromo-5-fluoro-N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 55822838
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299013
N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide
CID 18164303
N-cyclopropyl-3-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
CID 79382425
N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide
CID 32742935
methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 6923544
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-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-carboxamide (CID 39757148) is N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-carboxamide is O=C(CCNC(=O)c1cccs1)NNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is DEFJSVPSRKGHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c23-16(7-8-19-18(25)15-6-3-9-26-15)21-22-17(24)10-12-11-20-14-5-2-1-4-13(12)14/h1-6,9,11,20H,7-8,10H2,(H,19,25)(H,21,23)(H,22,24).
What are the key properties of N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 1.74, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 39757148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).