2-(methanesulfonamido)-N-[4-[2-(propan-2-ylamino)ethyl]phenyl]benzamide

C19H25N3O3S — CID 139887400

IUPAC2-(methanesulfonamido)-N-[4-[2-(propan-2-ylamino)ethyl]phenyl]benzamide
SMILESCC(C)NCCc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1
InChIInChI=1S/C19H25N3O3S/c1-14(2)20-13-12-15-8-10-16(11-9-15)21-19(23)17-6-4-5-7-18(17)22-26(3,24)25/h4-11,14,20,22H,12-13H2,1-3H3,(H,21,23)
InChIKeyFBVFXOXKXUZGKE-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.85
Rot. Bonds8

About 2-(methanesulfonamido)-N-[4-[2-(propan-2-ylamino)ethyl]phenyl]benzamide

2-(methanesulfonamido)-N-[4-[2-(propan-2-ylamino)ethyl]phenyl]benzamide (PubChem CID 139887400) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-[4-[2-(propan-2-ylamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-[4-[2-(propan-2-ylamino)ethyl]phenyl]benzamide
PubChem CID139887400
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-(methanesulfonamido)-N-[4-[2-(propan-2-ylamino)ethyl]phenyl]benzamide
SMILESCC(C)NCCc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1
InChIInChI=1S/C19H25N3O3S/c1-14(2)20-13-12-15-8-10-16(11-9-15)21-19(23)17-6-4-5-7-18(17)22-26(3,24)25/h4-11,14,20,22H,12-13H2,1-3H3,(H,21,23)
InChIKeyFBVFXOXKXUZGKE-UHFFFAOYSA-N
XLogP2.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-(methanesulfonamido)benzamide
CID 51166116
2-(methanesulfonamido)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 78862640
2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide
CID 100519885
N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide
CID 25484331
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
2-(methanesulfonamido)-N-(2-methoxyphenyl)benzamide
CID 1266369
2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide
CID 51179285
N-[6-(diethylamino)-3-pyridinyl]-2-(methanesulfonamido)benzamide
CID 55844663
3-[[2-(methanesulfonamido)benzoyl]amino]-2-methylpropanoic acid
CID 119237314
2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2230013
N-[4-(2-hydroxyethyl)phenyl]-2-[(4-propan-2-ylbenzoyl)amino]benzamide
CID 71552206
N-[(2R)-butan-2-yl]-2-[[2-(methanesulfonamido)benzoyl]amino]benzenecarboximidate
CID 2236713

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-[4-[2-(propan-2-ylamino)ethyl]phenyl]benzamide?
The IUPAC name of 2-(methanesulfonamido)-N-[4-[2-(propan-2-ylamino)ethyl]phenyl]benzamide (CID 139887400) is 2-(methanesulfonamido)-N-[4-[2-(propan-2-ylamino)ethyl]phenyl]benzamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-[4-[2-(propan-2-ylamino)ethyl]phenyl]benzamide?
The canonical SMILES for 2-(methanesulfonamido)-N-[4-[2-(propan-2-ylamino)ethyl]phenyl]benzamide is CC(C)NCCc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1.
What is the InChIKey of 2-(methanesulfonamido)-N-[4-[2-(propan-2-ylamino)ethyl]phenyl]benzamide?
The InChIKey is FBVFXOXKXUZGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14(2)20-13-12-15-8-10-16(11-9-15)21-19(23)17-6-4-5-7-18(17)22-26(3,24)25/h4-11,14,20,22H,12-13H2,1-3H3,(H,21,23).
What are the key properties of 2-(methanesulfonamido)-N-[4-[2-(propan-2-ylamino)ethyl]phenyl]benzamide?
2-(methanesulfonamido)-N-[4-[2-(propan-2-ylamino)ethyl]phenyl]benzamide has a molecular weight of 375.49 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-[4-[2-(propan-2-ylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 139887400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).