2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide

C19H28N2O3S — CID 110353562

IUPAC2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide
SMILESCc1cc(NC(=O)C(C)C2CCCC2)ccc1N1CCCCS1(=O)=O
InChIInChI=1S/C19H28N2O3S/c1-14-13-17(20-19(22)15(2)16-7-3-4-8-16)9-10-18(14)21-11-5-6-12-25(21,23)24/h9-10,13,15-16H,3-8,11-12H2,1-2H3,(H,20,22)
InChIKeyKEVAJFUVVLCOLI-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.69
Rot. Bonds4

About 2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide

2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide (PubChem CID 110353562) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide
PubChem CID110353562
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide
SMILESCc1cc(NC(=O)C(C)C2CCCC2)ccc1N1CCCCS1(=O)=O
InChIInChI=1S/C19H28N2O3S/c1-14-13-17(20-19(22)15(2)16-7-3-4-8-16)9-10-18(14)21-11-5-6-12-25(21,23)24/h9-10,13,15-16H,3-8,11-12H2,1-2H3,(H,20,22)
InChIKeyKEVAJFUVVLCOLI-UHFFFAOYSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]propanamide
CID 110353572
2-cyclopropyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methoxyphenyl]propanamide
CID 110622906
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]pyridine-4-carboxamide
CID 112505754
(2S)-2-amino-N-[3-chloro-4-(1,1-dioxothiazinan-2-yl)phenyl]propanamide
CID 22689828
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-methoxybenzamide
CID 112505449
N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]-3-(4-methylphenyl)propanamide
CID 110303556
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-2-(4-fluorophenyl)butanamide
CID 110353588
N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
CID 7658997
4-(1,1-dioxothiazinan-2-yl)-3-methylbenzoic acid
CID 16642520
2-chloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylphenyl]-6-fluorobenzamide
CID 112505756
2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide
CID 82084355
N-cycloheptyl-N'-[3-(1,1-dioxothiazinan-2-yl)-4-methoxyphenyl]oxamide
CID 45492358

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide?
The IUPAC name of 2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide (CID 110353562) is 2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide.
What is the SMILES notation for 2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide?
The canonical SMILES for 2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide is Cc1cc(NC(=O)C(C)C2CCCC2)ccc1N1CCCCS1(=O)=O.
What is the InChIKey of 2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide?
The InChIKey is KEVAJFUVVLCOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-14-13-17(20-19(22)15(2)16-7-3-4-8-16)9-10-18(14)21-11-5-6-12-25(21,23)24/h9-10,13,15-16H,3-8,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide?
2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide has a molecular weight of 364.51 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]propanamide is sourced from PubChem (CID 110353562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).