N-(cyclopropylmethyl)-N-[2-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]ethyl]benzamide

C26H29N3O4S — CID 57455769

IUPACN-(cyclopropylmethyl)-N-[2-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]ethyl]benzamide
SMILESCOc1ccc(N(CCN(CC2CC2)C(=O)c2ccccc2)S(=O)(=O)c2ccccc2C)cn1
InChIInChI=1S/C26H29N3O4S/c1-20-8-6-7-11-24(20)34(31,32)29(23-14-15-25(33-2)27-18-23)17-16-28(19-21-12-13-21)26(30)22-9-4-3-5-10-22/h3-11,14-15,18,21H,12-13,16-17,19H2,1-2H3
InChIKeyFXWWCNSOBHMWEL-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.15
Rot. Bonds10

About N-(cyclopropylmethyl)-N-[2-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]ethyl]benzamide

N-(cyclopropylmethyl)-N-[2-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]ethyl]benzamide (PubChem CID 57455769) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]ethyl]benzamide
PubChem CID57455769
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC NameN-(cyclopropylmethyl)-N-[2-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]ethyl]benzamide
SMILESCOc1ccc(N(CCN(CC2CC2)C(=O)c2ccccc2)S(=O)(=O)c2ccccc2C)cn1
InChIInChI=1S/C26H29N3O4S/c1-20-8-6-7-11-24(20)34(31,32)29(23-14-15-25(33-2)27-18-23)17-16-28(19-21-12-13-21)26(30)22-9-4-3-5-10-22/h3-11,14-15,18,21H,12-13,16-17,19H2,1-2H3
InChIKeyFXWWCNSOBHMWEL-UHFFFAOYSA-N
XLogP4.15
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]ethyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]ethyl]benzamide (CID 57455769) is N-(cyclopropylmethyl)-N-[2-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]ethyl]benzamide is COc1ccc(N(CCN(CC2CC2)C(=O)c2ccccc2)S(=O)(=O)c2ccccc2C)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]ethyl]benzamide?
The InChIKey is FXWWCNSOBHMWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-20-8-6-7-11-24(20)34(31,32)29(23-14-15-25(33-2)27-18-23)17-16-28(19-21-12-13-21)26(30)22-9-4-3-5-10-22/h3-11,14-15,18,21H,12-13,16-17,19H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[2-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]ethyl]benzamide?
N-(cyclopropylmethyl)-N-[2-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]ethyl]benzamide has a molecular weight of 479.60 g/mol, XLogP of 4.15, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-[(6-methoxy-3-pyridinyl)-(2-methylphenyl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 57455769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).