5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide

C20H23N3O5S — CID 18278443

IUPAC5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)C(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H23N3O5S/c1-13-7-10-18(29(27,28)21-16-8-9-16)12-19(13)20(24)22(3)14(2)15-5-4-6-17(11-15)23(25)26/h4-7,10-12,14,16,21H,8-9H2,1-3H3
InChIKeyGITVUIDDUMVZBZ-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.18
Rot. Bonds7

About 5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide

5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide (PubChem CID 18278443) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
PubChem CID18278443
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)C(C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H23N3O5S/c1-13-7-10-18(29(27,28)21-16-8-9-16)12-19(13)20(24)22(3)14(2)15-5-4-6-17(11-15)23(25)26/h4-7,10-12,14,16,21H,8-9H2,1-3H3
InChIKeyGITVUIDDUMVZBZ-UHFFFAOYSA-N
XLogP3.18
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-(diethylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55408377
2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 18086811
5-(cyclopropylsulfamoyl)-2-methyl-N-[(4-nitrophenyl)methyl]benzamide
CID 55945412
4-(cyclopropylsulfamoyl)-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 26010203
2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid
CID 119202227
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 18170187
5-(cyclohexylsulfamoyl)-2-methyl-N-[(2S)-2-phenylpropyl]benzamide
CID 9301857
3-(dimethylsulfamoyl)-N,4,5-trimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 55408224
1-methyl-3-(2-methyl-5-nitrophenyl)-1-[1-(3-nitrophenyl)ethyl]urea
CID 55696959
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
N,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]thiophene-2-carboxamide
CID 51222342
4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 46565388

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide?
The IUPAC name of 5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide (CID 18278443) is 5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide.
What is the SMILES notation for 5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide?
The canonical SMILES for 5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(C)C(C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide?
The InChIKey is GITVUIDDUMVZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-13-7-10-18(29(27,28)21-16-8-9-16)12-19(13)20(24)22(3)14(2)15-5-4-6-17(11-15)23(25)26/h4-7,10-12,14,16,21H,8-9H2,1-3H3.
What are the key properties of 5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide?
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide has a molecular weight of 417.49 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzamide is sourced from PubChem (CID 18278443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).