(2E)-N-ethyl-2-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-2-(1H-pyrrol-2-yl)acetamide

C16H16N4O4S — CID 23647625

IUPAC(2E)-N-ethyl-2-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-2-(1H-pyrrol-2-yl)acetamide
SMILESCCNC(=O)/C(=C1/C(=O)Nc2ccc(S(N)(=O)=O)cc21)c1ccc[nH]1
InChIInChI=1S/C16H16N4O4S/c1-2-18-15(21)14(12-4-3-7-19-12)13-10-8-9(25(17,23)24)5-6-11(10)20-16(13)22/h3-8,19H,2H2,1H3,(H,18,21)(H,20,22)(H2,17,23,24)/b14-13+
InChIKeyDWCYVKBATKTBGI-BUHFOSPRSA-N
MW360.40 g/mol
LogP0.66
Rot. Bonds4

About (2E)-N-ethyl-2-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-2-(1H-pyrrol-2-yl)acetamide

(2E)-N-ethyl-2-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-2-(1H-pyrrol-2-yl)acetamide (PubChem CID 23647625) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is (2E)-N-ethyl-2-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-2-(1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound Name(2E)-N-ethyl-2-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-2-(1H-pyrrol-2-yl)acetamide
PubChem CID23647625
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name(2E)-N-ethyl-2-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-2-(1H-pyrrol-2-yl)acetamide
SMILESCCNC(=O)/C(=C1/C(=O)Nc2ccc(S(N)(=O)=O)cc21)c1ccc[nH]1
InChIInChI=1S/C16H16N4O4S/c1-2-18-15(21)14(12-4-3-7-19-12)13-10-8-9(25(17,23)24)5-6-11(10)20-16(13)22/h3-8,19H,2H2,1H3,(H,18,21)(H,20,22)(H2,17,23,24)/b14-13+
InChIKeyDWCYVKBATKTBGI-BUHFOSPRSA-N
XLogP0.66
TPSA134.15 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

SU6656
CID 5312137
Oxsi-2
CID 6419747
3-Substituted indolin-2-one 11c
CID 5329140
Indolin-2-one deriv. 4c
CID 5329156
Indolyl quinolinone deriv. 16
CID 5329382
Indolyl quinolinone deriv. 17
CID 5329383
(3Z)-N-methyl-2-oxo-3-({4-oxo-2H,4H,5H,6H,7H-pyrrolo[3,4-c]pyridin-1-yl}methylidene)-2,3-dihydro-1H-indole-5-sulfonamide
CID 5331096
(3Z)-N,N-dimethyl-2-oxo-3-({4-oxo-2H,4H,5H,6H,7H-pyrrolo[3,4-c]pyridin-1-yl}methylidene)-2,3-dihydro-1H-indole-5-sulfonamide
CID 5331097
(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indole-5-sulfonamide
CID 23647616
N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-5-yl]methanesulfonamide
CID 23647622
(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]-2,3-dihydro-1H-indole-5-sulfonamide
CID 11461275
(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-2,3-dihydro-1H-indole-5-sulfonamide
CID 21051556

Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethyl-2-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-2-(1H-pyrrol-2-yl)acetamide?
The IUPAC name of (2E)-N-ethyl-2-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-2-(1H-pyrrol-2-yl)acetamide (CID 23647625) is (2E)-N-ethyl-2-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-2-(1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for (2E)-N-ethyl-2-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-2-(1H-pyrrol-2-yl)acetamide?
The canonical SMILES for (2E)-N-ethyl-2-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-2-(1H-pyrrol-2-yl)acetamide is CCNC(=O)/C(=C1/C(=O)Nc2ccc(S(N)(=O)=O)cc21)c1ccc[nH]1.
What is the InChIKey of (2E)-N-ethyl-2-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-2-(1H-pyrrol-2-yl)acetamide?
The InChIKey is DWCYVKBATKTBGI-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-2-18-15(21)14(12-4-3-7-19-12)13-10-8-9(25(17,23)24)5-6-11(10)20-16(13)22/h3-8,19H,2H2,1H3,(H,18,21)(H,20,22)(H2,17,23,24)/b14-13+.
What are the key properties of (2E)-N-ethyl-2-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-2-(1H-pyrrol-2-yl)acetamide?
(2E)-N-ethyl-2-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-2-(1H-pyrrol-2-yl)acetamide has a molecular weight of 360.40 g/mol, XLogP of 0.66, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethyl-2-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-2-(1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 23647625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).