N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide

C18H16N4O2S — CID 10338092

IUPACN-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESN#CCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccs1
InChIInChI=1S/C18H16N4O2S/c19-7-8-20-17(23)15(22-18(24)16-6-3-9-25-16)10-12-11-21-14-5-2-1-4-13(12)14/h1-6,9,11,15,21H,8,10H2,(H,20,23)(H,22,24)
InChIKeyKRLSEWMUYZJWLJ-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.21
Rot. Bonds6

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

N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 10338092) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID10338092
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC NameN-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESN#CCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccs1
InChIInChI=1S/C18H16N4O2S/c19-7-8-20-17(23)15(22-18(24)16-6-3-9-25-16)10-12-11-21-14-5-2-1-4-13(12)14/h1-6,9,11,15,21H,8,10H2,(H,20,23)(H,22,24)
InChIKeyKRLSEWMUYZJWLJ-UHFFFAOYSA-N
XLogP2.21
TPSA97.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 6923544
N-[3-(1H-indol-3-yl)-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46424980
N-[1-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55349771
N-[(2S)-3-(1H-indol-3-yl)-1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 24543500
N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 2465140
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethylamino]propan-2-yl]thiophene-2-carboxamide
CID 24544390
N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]thiophene-2-carboxamide
CID 40797397
(4-cyanophenyl)methyl (2S)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 2412048
N-[3-(1H-indol-3-yl)-1-[1-(4-methylsulfanylphenyl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46432484
N-[(2R)-3-(1H-indol-3-yl)-1-[(1-methylpyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 26288160
N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46415886
N-(cyanomethyl)-2-[(2-fluorophenyl)methylcarbamoylamino]-3-(1H-indol-3-yl)propanamide
CID 10340528

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 10338092) is N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is N#CCNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccs1.
What is the InChIKey of N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is KRLSEWMUYZJWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c19-7-8-20-17(23)15(22-18(24)16-6-3-9-25-16)10-12-11-21-14-5-2-1-4-13(12)14/h1-6,9,11,15,21H,8,10H2,(H,20,23)(H,22,24).
What are the key properties of N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 10338092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).