N-[2-(methanesulfonamido)ethyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide

C19H24N4O3S — CID 122562480

IUPACN-[2-(methanesulfonamido)ethyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NCCNS(C)(=O)=O)c2)nc2c1CCCC2
InChIInChI=1S/C19H24N4O3S/c1-13-16-8-3-4-9-17(16)23-18(22-13)14-6-5-7-15(12-14)19(24)20-10-11-21-27(2,25)26/h5-7,12,21H,3-4,8-11H2,1-2H3,(H,20,24)
InChIKeyMDENBSSCGDVYGR-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.61
Rot. Bonds6

About N-[2-(methanesulfonamido)ethyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide

N-[2-(methanesulfonamido)ethyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide (PubChem CID 122562480) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)ethyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)ethyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide
PubChem CID122562480
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-[2-(methanesulfonamido)ethyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide
SMILESCc1nc(-c2cccc(C(=O)NCCNS(C)(=O)=O)c2)nc2c1CCCC2
InChIInChI=1S/C19H24N4O3S/c1-13-16-8-3-4-9-17(16)23-18(22-13)14-6-5-7-15(12-14)19(24)20-10-11-21-27(2,25)26/h5-7,12,21H,3-4,8-11H2,1-2H3,(H,20,24)
InChIKeyMDENBSSCGDVYGR-UHFFFAOYSA-N
XLogP1.61
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methanesulfonamido)ethyl]-3-(6-methylpyridazin-3-yl)benzamide
CID 119065865
3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide
CID 122566280
N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide
CID 55028268
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
3-carbamothioyl-N-[2-(methanesulfonamido)ethyl]benzamide
CID 43546221
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50953115
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide
CID 63210748
N-[2-[[2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]amino]ethyl]acetamide
CID 133349083
(1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide
CID 124755594
N-[2-(1-hydroxycyclopentyl)ethyl]-3-(6-methyl-2-pyridinyl)benzamide
CID 118791586
2-[[3-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoyl]amino]ethanesulfonic acid
CID 89198463
3-amino-4-bromo-N-[2-(methanesulfonamido)ethyl]benzamide
CID 61094438

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)ethyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide?
The IUPAC name of N-[2-(methanesulfonamido)ethyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide (CID 122562480) is N-[2-(methanesulfonamido)ethyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide.
What is the SMILES notation for N-[2-(methanesulfonamido)ethyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide?
The canonical SMILES for N-[2-(methanesulfonamido)ethyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide is Cc1nc(-c2cccc(C(=O)NCCNS(C)(=O)=O)c2)nc2c1CCCC2.
What is the InChIKey of N-[2-(methanesulfonamido)ethyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide?
The InChIKey is MDENBSSCGDVYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-13-16-8-3-4-9-17(16)23-18(22-13)14-6-5-7-15(12-14)19(24)20-10-11-21-27(2,25)26/h5-7,12,21H,3-4,8-11H2,1-2H3,(H,20,24).
What are the key properties of N-[2-(methanesulfonamido)ethyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide?
N-[2-(methanesulfonamido)ethyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide has a molecular weight of 388.49 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)ethyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide is sourced from PubChem (CID 122562480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).