(2R)-2-[(2-chloro-4-sulfamoylanilino)methyl]-N-ethyl-N-methylmorpholine-4-carboxamide

C15H23ClN4O4S — CID 124565593

IUPAC(2R)-2-[(2-chloro-4-sulfamoylanilino)methyl]-N-ethyl-N-methylmorpholine-4-carboxamide
SMILESCCN(C)C(=O)N1CCO[C@H](CNc2ccc(S(N)(=O)=O)cc2Cl)C1
InChIInChI=1S/C15H23ClN4O4S/c1-3-19(2)15(21)20-6-7-24-11(10-20)9-18-14-5-4-12(8-13(14)16)25(17,22)23/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3,(H2,17,22,23)/t11-/m1/s1
InChIKeyMDPIKMSXNQQICG-LLVKDONJSA-N
MW390.89 g/mol
LogP1.17
Rot. Bonds5

About (2R)-2-[(2-chloro-4-sulfamoylanilino)methyl]-N-ethyl-N-methylmorpholine-4-carboxamide

(2R)-2-[(2-chloro-4-sulfamoylanilino)methyl]-N-ethyl-N-methylmorpholine-4-carboxamide (PubChem CID 124565593) has the molecular formula C15H23ClN4O4S and a molecular weight of 390.89 g/mol. Its IUPAC name is (2R)-2-[(2-chloro-4-sulfamoylanilino)methyl]-N-ethyl-N-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-[(2-chloro-4-sulfamoylanilino)methyl]-N-ethyl-N-methylmorpholine-4-carboxamide
PubChem CID124565593
Molecular FormulaC15H23ClN4O4S
Molecular Weight390.89 g/mol
Exact Mass390.11
IUPAC Name(2R)-2-[(2-chloro-4-sulfamoylanilino)methyl]-N-ethyl-N-methylmorpholine-4-carboxamide
SMILESCCN(C)C(=O)N1CCO[C@H](CNc2ccc(S(N)(=O)=O)cc2Cl)C1
InChIInChI=1S/C15H23ClN4O4S/c1-3-19(2)15(21)20-6-7-24-11(10-20)9-18-14-5-4-12(8-13(14)16)25(17,22)23/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3,(H2,17,22,23)/t11-/m1/s1
InChIKeyMDPIKMSXNQQICG-LLVKDONJSA-N
XLogP1.17
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chloro-4-sulfamoylanilino)methyl]-N-ethyl-N-methylmorpholine-4-carboxamide?
The IUPAC name of (2R)-2-[(2-chloro-4-sulfamoylanilino)methyl]-N-ethyl-N-methylmorpholine-4-carboxamide (CID 124565593) is (2R)-2-[(2-chloro-4-sulfamoylanilino)methyl]-N-ethyl-N-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-[(2-chloro-4-sulfamoylanilino)methyl]-N-ethyl-N-methylmorpholine-4-carboxamide?
The canonical SMILES for (2R)-2-[(2-chloro-4-sulfamoylanilino)methyl]-N-ethyl-N-methylmorpholine-4-carboxamide is CCN(C)C(=O)N1CCO[C@H](CNc2ccc(S(N)(=O)=O)cc2Cl)C1.
What is the InChIKey of (2R)-2-[(2-chloro-4-sulfamoylanilino)methyl]-N-ethyl-N-methylmorpholine-4-carboxamide?
The InChIKey is MDPIKMSXNQQICG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23ClN4O4S/c1-3-19(2)15(21)20-6-7-24-11(10-20)9-18-14-5-4-12(8-13(14)16)25(17,22)23/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3,(H2,17,22,23)/t11-/m1/s1.
What are the key properties of (2R)-2-[(2-chloro-4-sulfamoylanilino)methyl]-N-ethyl-N-methylmorpholine-4-carboxamide?
(2R)-2-[(2-chloro-4-sulfamoylanilino)methyl]-N-ethyl-N-methylmorpholine-4-carboxamide has a molecular weight of 390.89 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chloro-4-sulfamoylanilino)methyl]-N-ethyl-N-methylmorpholine-4-carboxamide is sourced from PubChem (CID 124565593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).