N-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide

C19H23N3O4S2 — CID 46652903

IUPACN-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(CC1CCCCC1)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C19H23N3O4S2/c23-17(13-14-7-2-1-3-8-14)20-21-19(24)15-9-4-5-10-16(15)22-28(25,26)18-11-6-12-27-18/h4-6,9-12,14,22H,1-3,7-8,13H2,(H,20,23)(H,21,24)
InChIKeyKRDFTZGJBWHHSB-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.28
Rot. Bonds6

About N-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide

N-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 46652903) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID46652903
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC NameN-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(CC1CCCCC1)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C19H23N3O4S2/c23-17(13-14-7-2-1-3-8-14)20-21-19(24)15-9-4-5-10-16(15)22-28(25,26)18-11-6-12-27-18/h4-6,9-12,14,22H,1-3,7-8,13H2,(H,20,23)(H,21,24)
InChIKeyKRDFTZGJBWHHSB-UHFFFAOYSA-N
XLogP3.28
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide (CID 46652903) is N-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide is O=C(CC1CCCCC1)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is KRDFTZGJBWHHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c23-17(13-14-7-2-1-3-8-14)20-21-19(24)15-9-4-5-10-16(15)22-28(25,26)18-11-6-12-27-18/h4-6,9-12,14,22H,1-3,7-8,13H2,(H,20,23)(H,21,24).
What are the key properties of N-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
N-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 421.54 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2-cyclohexylacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 46652903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).