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

C18H28ClN3O3S — CID 28577865

IUPAC3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
SMILESCC[C@H]1CCCCN1CCCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C18H28ClN3O3S/c1-3-15-7-4-5-11-22(15)12-6-10-20-18(23)14-8-9-17(16(19)13-14)21-26(2,24)25/h8-9,13,15,21H,3-7,10-12H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyOGEGGCUQFAVZSY-HNNXBMFYSA-N
MW401.96 g/mol
LogP3.10
Rot. Bonds8

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

3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide (PubChem CID 28577865) has the molecular formula C18H28ClN3O3S and a molecular weight of 401.96 g/mol. Its IUPAC name is 3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
PubChem CID28577865
Molecular FormulaC18H28ClN3O3S
Molecular Weight401.96 g/mol
Exact Mass401.15
IUPAC Name3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
SMILESCC[C@H]1CCCCN1CCCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C18H28ClN3O3S/c1-3-15-7-4-5-11-22(15)12-6-10-20-18(23)14-8-9-17(16(19)13-14)21-26(2,24)25/h8-9,13,15,21H,3-7,10-12H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyOGEGGCUQFAVZSY-HNNXBMFYSA-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-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43876108
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
CID 92677554
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
CID 133167577
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 92882504
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969125
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
3-acetamido-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-(4-methylphenyl)sulfonylbenzamide
CID 20968455
N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide
CID 46388323
N-[3-(2-ethylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 143609530
N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-4-chloro-3-(methanesulfonamido)benzamide
CID 52798238
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 100629368
3-chloro-4-(methanesulfonamido)-N-(2-morpholin-4-ylethyl)benzamide
CID 43910063

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of 3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide (CID 28577865) is 3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for 3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for 3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide is CC[C@H]1CCCCN1CCCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide?
The InChIKey is OGEGGCUQFAVZSY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28ClN3O3S/c1-3-15-7-4-5-11-22(15)12-6-10-20-18(23)14-8-9-17(16(19)13-14)21-26(2,24)25/h8-9,13,15,21H,3-7,10-12H2,1-2H3,(H,20,23)/t15-/m0/s1.
What are the key properties of 3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide?
3-chloro-N-[3-[(2S)-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 3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 28577865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).