N-[3-[(4-chlorophenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-sulfamoylmorpholine-2-carboxamide

C19H21ClN4O5S2 — CID 135200385

IUPACN-[3-[(4-chlorophenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-sulfamoylmorpholine-2-carboxamide
SMILESNS(=O)(=O)N1CCOC(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCC3)C1
InChIInChI=1S/C19H21ClN4O5S2/c20-11-4-6-12(7-5-11)22-18(26)16-13-2-1-3-15(13)30-19(16)23-17(25)14-10-24(8-9-29-14)31(21,27)28/h4-7,14H,1-3,8-10H2,(H,22,26)(H,23,25)(H2,21,27,28)
InChIKeyIMNZIKIPWMUMQI-UHFFFAOYSA-N
MW484.99 g/mol
LogP1.99
Rot. Bonds5

About N-[3-[(4-chlorophenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-sulfamoylmorpholine-2-carboxamide

N-[3-[(4-chlorophenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-sulfamoylmorpholine-2-carboxamide (PubChem CID 135200385) has the molecular formula C19H21ClN4O5S2 and a molecular weight of 484.99 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-sulfamoylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-sulfamoylmorpholine-2-carboxamide
PubChem CID135200385
Molecular FormulaC19H21ClN4O5S2
Molecular Weight484.99 g/mol
Exact Mass484.06
IUPAC NameN-[3-[(4-chlorophenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-sulfamoylmorpholine-2-carboxamide
SMILESNS(=O)(=O)N1CCOC(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCC3)C1
InChIInChI=1S/C19H21ClN4O5S2/c20-11-4-6-12(7-5-11)22-18(26)16-13-2-1-3-15(13)30-19(16)23-17(25)14-10-24(8-9-29-14)31(21,27)28/h4-7,14H,1-3,8-10H2,(H,22,26)(H,23,25)(H2,21,27,28)
InChIKeyIMNZIKIPWMUMQI-UHFFFAOYSA-N
XLogP1.99
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.99
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-[3-[(4-chlorophenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]piperidine-1,3-dicarboxamide
CID 135187041
3-[[3-[(4-chlorophenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2-carboxylic acid
CID 135200376
N-(4-chlorophenyl)-2-[[2-(hydroxymethyl)cyclohexanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 135187046
N-(4-chlorophenyl)-2-[(2,2,2-trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 87627141
2-[(4-chlorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 827845
N-(4-chlorophenyl)-2-(tetrazol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 45491075
methyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-3-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 16861652
(2R)-N-[3-(cyclopentylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]oxolane-2-carboxamide
CID 42546248
(1S,6R)-6-[[3-[(4-methylphenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 27525998
N-(4-methoxyphenyl)-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 71244041
2-[(2-chlorobenzoyl)amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1002852
(3R)-N-[3-(4-chlorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]oxolane-3-carboxamide
CID 97011801

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-sulfamoylmorpholine-2-carboxamide?
The IUPAC name of N-[3-[(4-chlorophenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-sulfamoylmorpholine-2-carboxamide (CID 135200385) is N-[3-[(4-chlorophenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-sulfamoylmorpholine-2-carboxamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-sulfamoylmorpholine-2-carboxamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-sulfamoylmorpholine-2-carboxamide is NS(=O)(=O)N1CCOC(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCC3)C1.
What is the InChIKey of N-[3-[(4-chlorophenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-sulfamoylmorpholine-2-carboxamide?
The InChIKey is IMNZIKIPWMUMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O5S2/c20-11-4-6-12(7-5-11)22-18(26)16-13-2-1-3-15(13)30-19(16)23-17(25)14-10-24(8-9-29-14)31(21,27)28/h4-7,14H,1-3,8-10H2,(H,22,26)(H,23,25)(H2,21,27,28).
What are the key properties of N-[3-[(4-chlorophenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-sulfamoylmorpholine-2-carboxamide?
N-[3-[(4-chlorophenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-sulfamoylmorpholine-2-carboxamide has a molecular weight of 484.99 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-4-sulfamoylmorpholine-2-carboxamide is sourced from PubChem (CID 135200385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).