N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide

C20H20N4O4S — CID 2641960

IUPACN-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NN=Cc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H20N4O4S/c25-20(23-22-14-16-13-21-19-7-2-1-6-18(16)19)15-4-3-5-17(12-15)29(26,27)24-8-10-28-11-9-24/h1-7,12-14,21H,8-11H2,(H,23,25)
InChIKeyRTCRVWYEOLFNCI-UHFFFAOYSA-N
MW412.47 g/mol
LogP1.95
Rot. Bonds5

About N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide

N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2641960) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2641960
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(NN=Cc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H20N4O4S/c25-20(23-22-14-16-13-21-19-7-2-1-6-18(16)19)15-4-3-5-17(12-15)29(26,27)24-8-10-28-11-9-24/h1-7,12-14,21H,8-11H2,(H,23,25)
InChIKeyRTCRVWYEOLFNCI-UHFFFAOYSA-N
XLogP1.95
TPSA103.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 135684409
N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 2588987
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
3-morpholin-4-ylsulfonyl-N-[(3-nitrophenyl)methylideneamino]benzamide
CID 2588912
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 2325280
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 135675587
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 135460515
N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide
CID 135818917
N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
CID 41320212
N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 136755725

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide (CID 2641960) is N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide is O=C(NN=Cc1c[nH]c2ccccc12)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is RTCRVWYEOLFNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c25-20(23-22-14-16-13-21-19-7-2-1-6-18(16)19)15-4-3-5-17(12-15)29(26,27)24-8-10-28-11-9-24/h1-7,12-14,21H,8-11H2,(H,23,25).
What are the key properties of N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide?
N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 412.47 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2641960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).