N-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide

C11H16N4O5S — CID 62147495

IUPACN-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide
SMILESCNc1ccc(S(=O)(=O)NCCNC(C)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O5S/c1-8(16)13-5-6-14-21(19,20)9-3-4-10(12-2)11(7-9)15(17)18/h3-4,7,12,14H,5-6H2,1-2H3,(H,13,16)
InChIKeyPHOOBBXMPNNBSM-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.05
Rot. Bonds7

About N-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide

N-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide (PubChem CID 62147495) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide
PubChem CID62147495
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC NameN-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide
SMILESCNc1ccc(S(=O)(=O)NCCNC(C)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O5S/c1-8(16)13-5-6-14-21(19,20)9-3-4-10(12-2)11(7-9)15(17)18/h3-4,7,12,14H,5-6H2,1-2H3,(H,13,16)
InChIKeyPHOOBBXMPNNBSM-UHFFFAOYSA-N
XLogP0.05
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]ethyl]acetamide
CID 43398029
N-ethyl-4-(methylamino)-3-nitrobenzenesulfonamide
CID 62150216
4-(methylamino)-N-(2-methylsulfanylethyl)-3-nitrobenzenesulfonamide
CID 63961223
N-methyl-2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]acetamide
CID 60630712
4-(methylamino)-N-(4-methylpentyl)-3-nitrobenzenesulfonamide
CID 63002612
N-[2-[[2-(methylamino)-4-nitrophenyl]sulfonylamino]ethyl]acetamide
CID 62147494
N-[2-[ethyl(methyl)amino]ethyl]-4-(methylamino)-3-nitrobenzenesulfonamide
CID 62640031
4-(methylamino)-3-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62148898
N-[2-[[2-(methylamino)-4-pyridinyl]sulfonylamino]ethyl]acetamide
CID 62145904
2-[(4-amino-3-nitrophenyl)sulfonylamino]ethylurea
CID 83115528
1-ethyl-3-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]urea
CID 4039653
1,1-dimethyl-3-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]urea
CID 118986455

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide (CID 62147495) is N-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide is CNc1ccc(S(=O)(=O)NCCNC(C)=O)cc1[N+](=O)[O-].
What is the InChIKey of N-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide?
The InChIKey is PHOOBBXMPNNBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c1-8(16)13-5-6-14-21(19,20)9-3-4-10(12-2)11(7-9)15(17)18/h3-4,7,12,14H,5-6H2,1-2H3,(H,13,16).
What are the key properties of N-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide?
N-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide has a molecular weight of 316.34 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 62147495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).