N,N-bis[3-(dimethylamino)propyl]-3-[[4-(2,2-diphenylethylamino)-3-nitrophenyl]sulfonylamino]propanamide

C33H46N6O5S — CID 11422305

IUPACN,N-bis[3-(dimethylamino)propyl]-3-[[4-(2,2-diphenylethylamino)-3-nitrophenyl]sulfonylamino]propanamide
SMILESCN(C)CCCN(CCCN(C)C)C(=O)CCNS(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C33H46N6O5S/c1-36(2)21-11-23-38(24-12-22-37(3)4)33(40)19-20-35-45(43,44)29-17-18-31(32(25-29)39(41)42)34-26-30(27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-10,13-18,25,30,34-35H,11-12,19-24,26H2,1-4H3
InChIKeyOSZIVOFXHRKDIM-UHFFFAOYSA-N
MW638.84 g/mol
LogP4.24
Rot. Bonds19

About N,N-bis[3-(dimethylamino)propyl]-3-[[4-(2,2-diphenylethylamino)-3-nitrophenyl]sulfonylamino]propanamide

N,N-bis[3-(dimethylamino)propyl]-3-[[4-(2,2-diphenylethylamino)-3-nitrophenyl]sulfonylamino]propanamide (PubChem CID 11422305) has the molecular formula C33H46N6O5S and a molecular weight of 638.84 g/mol. Its IUPAC name is N,N-bis[3-(dimethylamino)propyl]-3-[[4-(2,2-diphenylethylamino)-3-nitrophenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN,N-bis[3-(dimethylamino)propyl]-3-[[4-(2,2-diphenylethylamino)-3-nitrophenyl]sulfonylamino]propanamide
PubChem CID11422305
Molecular FormulaC33H46N6O5S
Molecular Weight638.84 g/mol
Exact Mass638.33
IUPAC NameN,N-bis[3-(dimethylamino)propyl]-3-[[4-(2,2-diphenylethylamino)-3-nitrophenyl]sulfonylamino]propanamide
SMILESCN(C)CCCN(CCCN(C)C)C(=O)CCNS(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C33H46N6O5S/c1-36(2)21-11-23-38(24-12-22-37(3)4)33(40)19-20-35-45(43,44)29-17-18-31(32(25-29)39(41)42)34-26-30(27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-10,13-18,25,30,34-35H,11-12,19-24,26H2,1-4H3
InChIKeyOSZIVOFXHRKDIM-UHFFFAOYSA-N
XLogP4.24
TPSA128.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.84
LogP ≤ 54.24
H-Bond Donors ≤ 52
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

N-[4-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1339985
CB29 (derivative 14)
CID 28020013
CB29 (derivative 19)
CID 17560769
CB29 (derivative 13)
CID 24661959
4-Benzylamino-3-nitro-N-phenyl-benzenesulfonamide
CID 2867314
N-[4-[[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]sulfamoyl]phenyl]acetamide
CID 4857708
4-(1-Benzyl-2-phenyl-ethylamino)-N,N-bis-(3-dimethylamino-propyl)-3-nitro-benzenesulfonamide
CID 11180748
N,N-Bis-(3-dimethylamino-propyl)-4-(2,2-diphenyl-ethylamino)-3-nitro-benzenesulfonamide
CID 11376509
N,N-bis[3-(dimethylamino)propyl]-1-[4-(2,2-diphenylethylamino)-3-nitrophenyl]sulfonylpiperidine-4-carboxamide
CID 11479448
2-[[4-(methylamino)-3-nitrophenyl]sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 24818276
(E)-N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 24979598
N-[2-(cyclohexen-1-yl)ethyl]-2-[[4-(dimethylamino)-3-nitrophenyl]sulfonylamino]acetamide
CID 25163691

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(dimethylamino)propyl]-3-[[4-(2,2-diphenylethylamino)-3-nitrophenyl]sulfonylamino]propanamide?
The IUPAC name of N,N-bis[3-(dimethylamino)propyl]-3-[[4-(2,2-diphenylethylamino)-3-nitrophenyl]sulfonylamino]propanamide (CID 11422305) is N,N-bis[3-(dimethylamino)propyl]-3-[[4-(2,2-diphenylethylamino)-3-nitrophenyl]sulfonylamino]propanamide.
What is the SMILES notation for N,N-bis[3-(dimethylamino)propyl]-3-[[4-(2,2-diphenylethylamino)-3-nitrophenyl]sulfonylamino]propanamide?
The canonical SMILES for N,N-bis[3-(dimethylamino)propyl]-3-[[4-(2,2-diphenylethylamino)-3-nitrophenyl]sulfonylamino]propanamide is CN(C)CCCN(CCCN(C)C)C(=O)CCNS(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of N,N-bis[3-(dimethylamino)propyl]-3-[[4-(2,2-diphenylethylamino)-3-nitrophenyl]sulfonylamino]propanamide?
The InChIKey is OSZIVOFXHRKDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N6O5S/c1-36(2)21-11-23-38(24-12-22-37(3)4)33(40)19-20-35-45(43,44)29-17-18-31(32(25-29)39(41)42)34-26-30(27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-10,13-18,25,30,34-35H,11-12,19-24,26H2,1-4H3.
What are the key properties of N,N-bis[3-(dimethylamino)propyl]-3-[[4-(2,2-diphenylethylamino)-3-nitrophenyl]sulfonylamino]propanamide?
N,N-bis[3-(dimethylamino)propyl]-3-[[4-(2,2-diphenylethylamino)-3-nitrophenyl]sulfonylamino]propanamide has a molecular weight of 638.84 g/mol, XLogP of 4.24, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(dimethylamino)propyl]-3-[[4-(2,2-diphenylethylamino)-3-nitrophenyl]sulfonylamino]propanamide is sourced from PubChem (CID 11422305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).