N-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide

C24H29N5O5S — CID 41328158

IUPACN-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide
SMILESN#Cc1ccccc1NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1
InChIInChI=1S/C24H29N5O5S/c25-15-18-4-1-2-6-21(18)28-24(30)17-27-23-14-20(35(31,32)29-9-12-33-13-10-29)7-8-22(23)26-16-19-5-3-11-34-19/h1-2,4,6-8,14,19,26-27H,3,5,9-13,16-17H2,(H,28,30)/t19-/m1/s1
InChIKeyRJHWXEXRUKQHOL-LJQANCHMSA-N
MW499.59 g/mol
LogP2.22
Rot. Bonds9

About N-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide

N-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide (PubChem CID 41328158) has the molecular formula C24H29N5O5S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide
PubChem CID41328158
Molecular FormulaC24H29N5O5S
Molecular Weight499.59 g/mol
Exact Mass499.19
IUPAC NameN-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide
SMILESN#Cc1ccccc1NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1
InChIInChI=1S/C24H29N5O5S/c25-15-18-4-1-2-6-21(18)28-24(30)17-27-23-14-20(35(31,32)29-9-12-33-13-10-29)7-8-22(23)26-16-19-5-3-11-34-19/h1-2,4,6-8,14,19,26-27H,3,5,9-13,16-17H2,(H,28,30)/t19-/m1/s1
InChIKeyRJHWXEXRUKQHOL-LJQANCHMSA-N
XLogP2.22
TPSA132.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 119266422
N-(3-fluoro-4-methylphenyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 24817896
N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 55365412
N-[1-(furan-2-yl)ethyl]-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 55437130
2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]-N-(propylcarbamoyl)acetamide
CID 55365420
N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]cyclohexanecarboxamide
CID 42948457
1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one
CID 25415439
N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]furan-2-carboxamide
CID 51933841
N-(2-cyanophenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 1439761
4-ethoxy-N-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 55761995
N-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]thiophene-3-carboxamide
CID 51933845
1-(4-fluorophenyl)-3-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]phenyl]urea
CID 40968629

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide (CID 41328158) is N-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide is N#Cc1ccccc1NC(=O)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1.
What is the InChIKey of N-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide?
The InChIKey is RJHWXEXRUKQHOL-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29N5O5S/c25-15-18-4-1-2-6-21(18)28-24(30)17-27-23-14-20(35(31,32)29-9-12-33-13-10-29)7-8-22(23)26-16-19-5-3-11-34-19/h1-2,4,6-8,14,19,26-27H,3,5,9-13,16-17H2,(H,28,30)/t19-/m1/s1.
What are the key properties of N-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide?
N-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide has a molecular weight of 499.59 g/mol, XLogP of 2.22, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[5-morpholin-4-ylsulfonyl-2-[[(2R)-oxolan-2-yl]methylamino]anilino]acetamide is sourced from PubChem (CID 41328158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).