2-[[3-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]acetamide

C18H22N4O4S — CID 142000156

IUPAC2-[[3-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]acetamide
SMILESCCCNC(=O)Nc1cccc(-c2cccc(S(=O)(=O)NCC(N)=O)c2)c1
InChIInChI=1S/C18H22N4O4S/c1-2-9-20-18(24)22-15-7-3-5-13(10-15)14-6-4-8-16(11-14)27(25,26)21-12-17(19)23/h3-8,10-11,21H,2,9,12H2,1H3,(H2,19,23)(H2,20,22,24)
InChIKeyLUOSZKCLMVCNNL-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.65
Rot. Bonds8

About 2-[[3-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]acetamide

2-[[3-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]acetamide (PubChem CID 142000156) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-[[3-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[[3-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]acetamide
PubChem CID142000156
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name2-[[3-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]acetamide
SMILESCCCNC(=O)Nc1cccc(-c2cccc(S(=O)(=O)NCC(N)=O)c2)c1
InChIInChI=1S/C18H22N4O4S/c1-2-9-20-18(24)22-15-7-3-5-13(10-15)14-6-4-8-16(11-14)27(25,26)21-12-17(19)23/h3-8,10-11,21H,2,9,12H2,1H3,(H2,19,23)(H2,20,22,24)
InChIKeyLUOSZKCLMVCNNL-UHFFFAOYSA-N
XLogP1.65
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea
CID 4803273
(2-propylphenyl) 3-(propylcarbamoylamino)benzenesulfonate
CID 66575971
1-[3-(1-aminoethyl)phenyl]-3-propylurea
CID 43210542
1-[3-(1H-imidazol-2-yl)phenyl]-3-propylurea
CID 110748430
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
2-[(3-ethylphenyl)carbamoylamino]acetamide
CID 144801383
ethyl 3-(propylcarbamoylamino)benzoate
CID 19169955
2-[(3-aminophenyl)carbamoylamino]-N-propylacetamide
CID 43567574
1-propyl-3-(3-sulfamoylphenyl)thiourea
CID 8620369
2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide
CID 60873598
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
2-[(2-methylphenyl)sulfonylamino]-3-[4-[3-(propylcarbamoylamino)phenyl]phenyl]propanoic acid
CID 22092793

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]acetamide?
The IUPAC name of 2-[[3-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]acetamide (CID 142000156) is 2-[[3-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]acetamide.
What is the SMILES notation for 2-[[3-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]acetamide?
The canonical SMILES for 2-[[3-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]acetamide is CCCNC(=O)Nc1cccc(-c2cccc(S(=O)(=O)NCC(N)=O)c2)c1.
What is the InChIKey of 2-[[3-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]acetamide?
The InChIKey is LUOSZKCLMVCNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-2-9-20-18(24)22-15-7-3-5-13(10-15)14-6-4-8-16(11-14)27(25,26)21-12-17(19)23/h3-8,10-11,21H,2,9,12H2,1H3,(H2,19,23)(H2,20,22,24).
What are the key properties of 2-[[3-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]acetamide?
2-[[3-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]acetamide has a molecular weight of 390.47 g/mol, XLogP of 1.65, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[3-(propylcarbamoylamino)phenyl]phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 142000156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).