2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide

C18H28ClN3O3S — CID 92677554

IUPAC2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
SMILESCC[C@@H]1CCCCN1CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl
InChIInChI=1S/C18H28ClN3O3S/c1-3-15-7-4-5-11-22(15)12-6-10-20-18(23)16-9-8-14(13-17(16)19)21-26(2,24)25/h8-9,13,15,21H,3-7,10-12H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyNDUVQOXDRNPWJT-OAHLLOKOSA-N
MW401.96 g/mol
LogP3.10
Rot. Bonds8

About 2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide

2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide (PubChem CID 92677554) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is 2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
PubChem CID92677554
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC Name2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
SMILESCC[C@@H]1CCCCN1CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl
InChIInChI=1S/C18H28ClN3O3S/c1-3-15-7-4-5-11-22(15)12-6-10-20-18(23)16-9-8-14(13-17(16)19)21-26(2,24)25/h8-9,13,15,21H,3-7,10-12H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyNDUVQOXDRNPWJT-OAHLLOKOSA-N
XLogP3.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
CID 28577865
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 92882504
2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide
CID 92686029
5-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methoxybenzamide
CID 100529518
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
CID 133167577
3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43876108
1-(4-bromo-3-chlorophenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]thiourea
CID 100686441
2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 38003506
1-(3-chlorophenyl)-3-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]urea
CID 95706022
3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 51221498
1-(3-chlorophenyl)-3-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]urea
CID 95706023
1-(3-chloro-4-methoxyphenyl)-3-[3-(2-ethylpiperidin-1-yl)propyl]thiourea
CID 133154550

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of 2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide (CID 92677554) is 2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for 2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide is CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide?
The InChIKey is NDUVQOXDRNPWJT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28ClN3O3S/c1-3-15-7-4-5-11-22(15)12-6-10-20-18(23)16-9-8-14(13-17(16)19)21-26(2,24)25/h8-9,13,15,21H,3-7,10-12H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of 2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide?
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide has a molecular weight of 401.96 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 92677554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).