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

C20H21N3O3S — CID 3549726

IUPACN-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)N1CCOCC1)c1cccs1
InChIInChI=1S/C20H21N3O3S/c24-19(18-6-3-11-27-18)22-17(20(25)23-7-9-26-10-8-23)12-14-13-21-16-5-2-1-4-15(14)16/h1-6,11,13,17,21H,7-10,12H2,(H,22,24)
InChIKeyLSMQZLSTDWBHEV-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.43
Rot. Bonds5

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

N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 3549726) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID3549726
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)N1CCOCC1)c1cccs1
InChIInChI=1S/C20H21N3O3S/c24-19(18-6-3-11-27-18)22-17(20(25)23-7-9-26-10-8-23)12-14-13-21-16-5-2-1-4-15(14)16/h1-6,11,13,17,21H,7-10,12H2,(H,22,24)
InChIKeyLSMQZLSTDWBHEV-UHFFFAOYSA-N
XLogP2.43
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]piperazine-1-carboxamide
CID 46440333
N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 110286492
methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 6923544
N-[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 9117695
3-acetamido-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide
CID 110625994
N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]butane-1-sulfonamide
CID 110286518
(2-oxooxolan-3-yl) 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 23828859
(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 10694604
N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 10338092
N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 2465140
(2-chlorophenyl)methyl 3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 23738438
N-[3-(1H-indol-3-yl)-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647922

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 3549726) is N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide is O=C(NC(Cc1c[nH]c2ccccc12)C(=O)N1CCOCC1)c1cccs1.
What is the InChIKey of N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is LSMQZLSTDWBHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c24-19(18-6-3-11-27-18)22-17(20(25)23-7-9-26-10-8-23)12-14-13-21-16-5-2-1-4-15(14)16/h1-6,11,13,17,21H,7-10,12H2,(H,22,24).
What are the key properties of N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 3549726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).