3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide

C23H23N3O5S — CID 24673279

IUPAC3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)cc1NS(C)(=O)=O
InChIInChI=1S/C23H23N3O5S/c1-31-21-10-9-17(13-20(21)26-32(2,29)30)24-23(28)18-11-15-5-3-4-6-16(15)12-19(18)25-22(27)14-7-8-14/h3-6,9-14,26H,7-8H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyJBEDFWKSKZDZSW-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.82
Rot. Bonds7

About 3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide

3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide (PubChem CID 24673279) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide
PubChem CID24673279
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)cc1NS(C)(=O)=O
InChIInChI=1S/C23H23N3O5S/c1-31-21-10-9-17(13-20(21)26-32(2,29)30)24-23(28)18-11-15-5-3-4-6-16(15)12-19(18)25-22(27)14-7-8-14/h3-6,9-14,26H,7-8H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyJBEDFWKSKZDZSW-UHFFFAOYSA-N
XLogP3.82
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide
CID 25484331
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
CID 55585903
5-acetamido-N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
CID 56515740
N-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide
CID 52788633
3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide
CID 166393096
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 134019095
2-amino-N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]benzamide;hydrochloride
CID 119945563
3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide
CID 86923799
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylfuran-3-carboxamide
CID 134019111
N-[3-(cyclohexanecarbonylamino)-4-methoxyphenyl]-3,5-dimethoxybenzamide
CID 51370675
2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide
CID 110602595

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide (CID 24673279) is 3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide is COc1ccc(NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)cc1NS(C)(=O)=O.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide?
The InChIKey is JBEDFWKSKZDZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-31-21-10-9-17(13-20(21)26-32(2,29)30)24-23(28)18-11-15-5-3-4-6-16(15)12-19(18)25-22(27)14-7-8-14/h3-6,9-14,26H,7-8H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide?
3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide has a molecular weight of 453.52 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 24673279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).