3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide

C18H19N3O5S — CID 166393096

IUPAC3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide
SMILESCS(=O)(=O)NC(=O)CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1
InChIInChI=1S/C18H19N3O5S/c1-27(25,26)21-16(22)10-19-18(24)14-8-12-4-2-3-5-13(12)9-15(14)20-17(23)11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyNGVOIUIKRNOLIR-UHFFFAOYSA-N
MW389.43 g/mol
LogP0.99
Rot. Bonds6

About 3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide

3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide (PubChem CID 166393096) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide
PubChem CID166393096
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide
SMILESCS(=O)(=O)NC(=O)CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1
InChIInChI=1S/C18H19N3O5S/c1-27(25,26)21-16(22)10-19-18(24)14-8-12-4-2-3-5-13(12)9-15(14)20-17(23)11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyNGVOIUIKRNOLIR-UHFFFAOYSA-N
XLogP0.99
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide (CID 166393096) is 3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide is CS(=O)(=O)NC(=O)CNC(=O)c1cc2ccccc2cc1NC(=O)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide?
The InChIKey is NGVOIUIKRNOLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-27(25,26)21-16(22)10-19-18(24)14-8-12-4-2-3-5-13(12)9-15(14)20-17(23)11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,24)(H,20,23)(H,21,22).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide?
3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 166393096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).