2-phenyl-N-propan-2-yl-2-(propylsulfamoylamino)acetamide

C14H23N3O3S — CID 110626060

IUPAC2-phenyl-N-propan-2-yl-2-(propylsulfamoylamino)acetamide
SMILESCCCNS(=O)(=O)NC(C(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C14H23N3O3S/c1-4-10-15-21(19,20)17-13(14(18)16-11(2)3)12-8-6-5-7-9-12/h5-9,11,13,15,17H,4,10H2,1-3H3,(H,16,18)
InChIKeyAPNXIIBKCFSMHH-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.09
Rot. Bonds8

About 2-phenyl-N-propan-2-yl-2-(propylsulfamoylamino)acetamide

2-phenyl-N-propan-2-yl-2-(propylsulfamoylamino)acetamide (PubChem CID 110626060) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-phenyl-N-propan-2-yl-2-(propylsulfamoylamino)acetamide.

Molecular Properties

Compound Name2-phenyl-N-propan-2-yl-2-(propylsulfamoylamino)acetamide
PubChem CID110626060
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-phenyl-N-propan-2-yl-2-(propylsulfamoylamino)acetamide
SMILESCCCNS(=O)(=O)NC(C(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C14H23N3O3S/c1-4-10-15-21(19,20)17-13(14(18)16-11(2)3)12-8-6-5-7-9-12/h5-9,11,13,15,17H,4,10H2,1-3H3,(H,16,18)
InChIKeyAPNXIIBKCFSMHH-UHFFFAOYSA-N
XLogP1.09
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propan-2-yl-2-(propylsulfamoylamino)acetamide?
The IUPAC name of 2-phenyl-N-propan-2-yl-2-(propylsulfamoylamino)acetamide (CID 110626060) is 2-phenyl-N-propan-2-yl-2-(propylsulfamoylamino)acetamide.
What is the SMILES notation for 2-phenyl-N-propan-2-yl-2-(propylsulfamoylamino)acetamide?
The canonical SMILES for 2-phenyl-N-propan-2-yl-2-(propylsulfamoylamino)acetamide is CCCNS(=O)(=O)NC(C(=O)NC(C)C)c1ccccc1.
What is the InChIKey of 2-phenyl-N-propan-2-yl-2-(propylsulfamoylamino)acetamide?
The InChIKey is APNXIIBKCFSMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-10-15-21(19,20)17-13(14(18)16-11(2)3)12-8-6-5-7-9-12/h5-9,11,13,15,17H,4,10H2,1-3H3,(H,16,18).
What are the key properties of 2-phenyl-N-propan-2-yl-2-(propylsulfamoylamino)acetamide?
2-phenyl-N-propan-2-yl-2-(propylsulfamoylamino)acetamide has a molecular weight of 313.42 g/mol, XLogP of 1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propan-2-yl-2-(propylsulfamoylamino)acetamide is sourced from PubChem (CID 110626060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).