1-(furan-2-yl)-N,N-dimethyl-N'-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)ethane-1,2-diamine

C18H24N4O6S — CID 4845767

IUPAC1-(furan-2-yl)-N,N-dimethyl-N'-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)ethane-1,2-diamine
SMILESCN(C)C(CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C18H24N4O6S/c1-20(2)17(18-4-3-9-28-18)13-19-15-6-5-14(12-16(15)22(23)24)29(25,26)21-7-10-27-11-8-21/h3-6,9,12,17,19H,7-8,10-11,13H2,1-2H3
InChIKeyJBRNXKVQGLOCEC-UHFFFAOYSA-N
MW424.48 g/mol
LogP1.92
Rot. Bonds8

About 1-(furan-2-yl)-N,N-dimethyl-N'-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)ethane-1,2-diamine

1-(furan-2-yl)-N,N-dimethyl-N'-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)ethane-1,2-diamine (PubChem CID 4845767) has the molecular formula C18H24N4O6S and a molecular weight of 424.48 g/mol. Its IUPAC name is 1-(furan-2-yl)-N,N-dimethyl-N'-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N,N-dimethyl-N'-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)ethane-1,2-diamine
PubChem CID4845767
Molecular FormulaC18H24N4O6S
Molecular Weight424.48 g/mol
Exact Mass424.14
IUPAC Name1-(furan-2-yl)-N,N-dimethyl-N'-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)ethane-1,2-diamine
SMILESCN(C)C(CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C18H24N4O6S/c1-20(2)17(18-4-3-9-28-18)13-19-15-6-5-14(12-16(15)22(23)24)29(25,26)21-7-10-27-11-8-21/h3-6,9,12,17,19H,7-8,10-11,13H2,1-2H3
InChIKeyJBRNXKVQGLOCEC-UHFFFAOYSA-N
XLogP1.92
TPSA118.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(furan-2-ylmethyl)-3-(4-morpholin-4-ylsulfonyl-2-nitroanilino)propan-1-ol
CID 31659185
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CID 55346473
N-benzyl-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 2867352
N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide
CID 3881300
N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 51726770
4-morpholin-4-ylsulfonyl-2-nitro-N-pentylaniline
CID 40714555
4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-phenylcyclopropyl)methyl]aniline
CID 46683945
4-morpholin-4-ylsulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline
CID 9279987
N-[(E)-furan-2-ylmethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 42991051
(2R)-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)propan-1-ol
CID 95329271
(2S)-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)propan-1-ol
CID 95329270
(2R)-2-N,2-N,4-trimethyl-1-N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)pentane-1,2-diamine
CID 25349437

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)ethane-1,2-diamine (CID 4845767) is 1-(furan-2-yl)-N,N-dimethyl-N'-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-N,N-dimethyl-N'-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-N,N-dimethyl-N'-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)ethane-1,2-diamine is CN(C)C(CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N,N-dimethyl-N'-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)ethane-1,2-diamine?
The InChIKey is JBRNXKVQGLOCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O6S/c1-20(2)17(18-4-3-9-28-18)13-19-15-6-5-14(12-16(15)22(23)24)29(25,26)21-7-10-27-11-8-21/h3-6,9,12,17,19H,7-8,10-11,13H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N,N-dimethyl-N'-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)ethane-1,2-diamine?
1-(furan-2-yl)-N,N-dimethyl-N'-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)ethane-1,2-diamine has a molecular weight of 424.48 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N,N-dimethyl-N'-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)ethane-1,2-diamine is sourced from PubChem (CID 4845767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).