4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine

C19H32N4O6S2 — CID 25347481

IUPAC4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine
SMILESCCN(CC)S(=O)(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1
InChIInChI=1S/C19H32N4O6S2/c1-3-22(4-2)31(26,27)21-19-14-17(30(24,25)23-9-12-28-13-10-23)7-8-18(19)20-15-16-6-5-11-29-16/h7-8,14,16,20-21H,3-6,9-13,15H2,1-2H3/t16-/m1/s1
InChIKeyISCGNQTWLTYJRA-MRXNPFEDSA-N
MW476.62 g/mol
LogP1.30
Rot. Bonds10

About 4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine

4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine (PubChem CID 25347481) has the molecular formula C19H32N4O6S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is 4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine
PubChem CID25347481
Molecular FormulaC19H32N4O6S2
Molecular Weight476.62 g/mol
Exact Mass476.18
IUPAC Name4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine
SMILESCCN(CC)S(=O)(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1
InChIInChI=1S/C19H32N4O6S2/c1-3-22(4-2)31(26,27)21-19-14-17(30(24,25)23-9-12-28-13-10-23)7-8-18(19)20-15-16-6-5-11-29-16/h7-8,14,16,20-21H,3-6,9-13,15H2,1-2H3/t16-/m1/s1
InChIKeyISCGNQTWLTYJRA-MRXNPFEDSA-N
XLogP1.30
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzenesulfonamide
CID 40927945
4-morpholin-4-ylsulfonyl-1-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 4991638
2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 119266422
4-morpholin-4-ylsulfonyl-2-nitro-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 9187073
N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide
CID 42948457
4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 55761995
2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-(propylcarbamoyl)acetamide
CID 55365420
N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]thiophene-3-carboxamide
CID 51933845
N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 55365412
1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea
CID 40968629
N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide
CID 51933841
1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one
CID 25415439

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine (CID 25347481) is 4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine is CCN(CC)S(=O)(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1.
What is the InChIKey of 4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine?
The InChIKey is ISCGNQTWLTYJRA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H32N4O6S2/c1-3-22(4-2)31(26,27)21-19-14-17(30(24,25)23-9-12-28-13-10-23)7-8-18(19)20-15-16-6-5-11-29-16/h7-8,14,16,20-21H,3-6,9-13,15H2,1-2H3/t16-/m1/s1.
What are the key properties of 4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine?
4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine has a molecular weight of 476.62 g/mol, XLogP of 1.30, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylsulfamoylamino)-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]sulfonylmorpholine is sourced from PubChem (CID 25347481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).