3-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptylpropanamide

C20H32N2O3S — CID 9217883

IUPAC3-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptylpropanamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C20H32N2O3S/c1-20(2,3)16-10-12-18(13-11-16)26(24,25)21-15-14-19(23)22-17-8-6-4-5-7-9-17/h10-13,17,21H,4-9,14-15H2,1-3H3,(H,22,23)
InChIKeyMDEDFUOSNQNBEE-UHFFFAOYSA-N
MW380.55 g/mol
LogP3.49
Rot. Bonds6

About 3-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptylpropanamide

3-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptylpropanamide (PubChem CID 9217883) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptylpropanamide.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptylpropanamide
PubChem CID9217883
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC Name3-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptylpropanamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C20H32N2O3S/c1-20(2,3)16-10-12-18(13-11-16)26(24,25)21-15-14-19(23)22-17-8-6-4-5-7-9-17/h10-13,17,21H,4-9,14-15H2,1-3H3,(H,22,23)
InChIKeyMDEDFUOSNQNBEE-UHFFFAOYSA-N
XLogP3.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptylpropanamide?
The IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptylpropanamide (CID 9217883) is 3-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptylpropanamide.
What is the SMILES notation for 3-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptylpropanamide?
The canonical SMILES for 3-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptylpropanamide is CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NC2CCCCCC2)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptylpropanamide?
The InChIKey is MDEDFUOSNQNBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-20(2,3)16-10-12-18(13-11-16)26(24,25)21-15-14-19(23)22-17-8-6-4-5-7-9-17/h10-13,17,21H,4-9,14-15H2,1-3H3,(H,22,23).
What are the key properties of 3-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptylpropanamide?
3-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptylpropanamide has a molecular weight of 380.55 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptylpropanamide is sourced from PubChem (CID 9217883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).