[5-[[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-propan-2-yloxyethyl)carbamate

C24H31ClN4O8S — CID 70214053

IUPAC[5-[[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-propan-2-yloxyethyl)carbamate
SMILESCCOCCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)NCCOC(C)C)nc2)c(Cl)c1
InChIInChI=1S/C24H31ClN4O8S/c1-4-35-12-5-10-26-22(30)17-6-8-20(19(25)14-17)38(33,34)29-23(31)18-7-9-21(28-15-18)37-24(32)27-11-13-36-16(2)3/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,26,30)(H,27,32)(H,29,31)
InChIKeyDIDVWIVHPJWHOC-UHFFFAOYSA-N
MW571.05 g/mol
LogP2.52
Rot. Bonds14

About [5-[[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-propan-2-yloxyethyl)carbamate

[5-[[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-propan-2-yloxyethyl)carbamate (PubChem CID 70214053) has the molecular formula C24H31ClN4O8S and a molecular weight of 571.05 g/mol. Its IUPAC name is [5-[[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-propan-2-yloxyethyl)carbamate.

Molecular Properties

Compound Name[5-[[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-propan-2-yloxyethyl)carbamate
PubChem CID70214053
Molecular FormulaC24H31ClN4O8S
Molecular Weight571.05 g/mol
Exact Mass570.16
IUPAC Name[5-[[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-propan-2-yloxyethyl)carbamate
SMILESCCOCCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)NCCOC(C)C)nc2)c(Cl)c1
InChIInChI=1S/C24H31ClN4O8S/c1-4-35-12-5-10-26-22(30)17-6-8-20(19(25)14-17)38(33,34)29-23(31)18-7-9-21(28-15-18)37-24(32)27-11-13-36-16(2)3/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,26,30)(H,27,32)(H,29,31)
InChIKeyDIDVWIVHPJWHOC-UHFFFAOYSA-N
XLogP2.52
TPSA162.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.05
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

5-N-[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonyl-2-N-(2-ethoxyethyl)pyridine-2,5-dicarboxamide
CID 19970338
[5-[[4-chloro-3-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propan-2-yl carbonate
CID 67749525
[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate
CID 70210869
[5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-ethoxyethyl)carbamate
CID 70213122
[5-[[4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-aminoacetyl)carbamate
CID 70212511
[5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70212189
6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
CID 18070777
[5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70214059
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70213172
[5-[[3-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70210949
5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 113382032

Frequently Asked Questions

What is the IUPAC name of [5-[[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-propan-2-yloxyethyl)carbamate?
The IUPAC name of [5-[[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-propan-2-yloxyethyl)carbamate (CID 70214053) is [5-[[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-propan-2-yloxyethyl)carbamate.
What is the SMILES notation for [5-[[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-propan-2-yloxyethyl)carbamate?
The canonical SMILES for [5-[[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-propan-2-yloxyethyl)carbamate is CCOCCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)NCCOC(C)C)nc2)c(Cl)c1.
What is the InChIKey of [5-[[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-propan-2-yloxyethyl)carbamate?
The InChIKey is DIDVWIVHPJWHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O8S/c1-4-35-12-5-10-26-22(30)17-6-8-20(19(25)14-17)38(33,34)29-23(31)18-7-9-21(28-15-18)37-24(32)27-11-13-36-16(2)3/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,26,30)(H,27,32)(H,29,31).
What are the key properties of [5-[[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-propan-2-yloxyethyl)carbamate?
[5-[[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-propan-2-yloxyethyl)carbamate has a molecular weight of 571.05 g/mol, XLogP of 2.52, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[2-chloro-4-(3-ethoxypropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-propan-2-yloxyethyl)carbamate is sourced from PubChem (CID 70214053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).