2-methylpropyl N-[2-chloro-4-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]carbamate

C17H20Cl2N2O2S — CID 67267595

IUPAC2-methylpropyl N-[2-chloro-4-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]carbamate
SMILESCC(C)COC(=O)Nc1ccc(N(C)Cc2ccc(Cl)s2)cc1Cl
InChIInChI=1S/C17H20Cl2N2O2S/c1-11(2)10-23-17(22)20-15-6-4-12(8-14(15)18)21(3)9-13-5-7-16(19)24-13/h4-8,11H,9-10H2,1-3H3,(H,20,22)
InChIKeyWJLXTOBWTZRKRD-UHFFFAOYSA-N
MW387.33 g/mol
LogP5.90
Rot. Bonds6

About 2-methylpropyl N-[2-chloro-4-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]carbamate

2-methylpropyl N-[2-chloro-4-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]carbamate (PubChem CID 67267595) has the molecular formula C17H20Cl2N2O2S and a molecular weight of 387.33 g/mol. Its IUPAC name is 2-methylpropyl N-[2-chloro-4-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-chloro-4-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]carbamate
PubChem CID67267595
Molecular FormulaC17H20Cl2N2O2S
Molecular Weight387.33 g/mol
Exact Mass386.06
IUPAC Name2-methylpropyl N-[2-chloro-4-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]carbamate
SMILESCC(C)COC(=O)Nc1ccc(N(C)Cc2ccc(Cl)s2)cc1Cl
InChIInChI=1S/C17H20Cl2N2O2S/c1-11(2)10-23-17(22)20-15-6-4-12(8-14(15)18)21(3)9-13-5-7-16(19)24-13/h4-8,11H,9-10H2,1-3H3,(H,20,22)
InChIKeyWJLXTOBWTZRKRD-UHFFFAOYSA-N
XLogP5.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.33
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-amino-4-[(5-chlorothiophen-2-yl)methyl-ethylamino]phenyl]carbamate
CID 68511984
2-[2-chloro-4-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]-2-(4-chlorophenyl)propanamide
CID 172853206
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-methylbenzoic acid
CID 62136632
4-[(1R)-1-aminoethyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 78934665
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
CID 80727262
4-(2-aminopropyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 63816137
2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate
CID 107640719
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide
CID 86985635
3-(2-chloro-4-methoxyphenyl)-1-[(5-chlorothiophen-2-yl)methyl]-1-ethylurea
CID 86862833
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 61438708
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine
CID 104533337
1-[5-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-nitrophenyl]ethanone
CID 104613559

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-chloro-4-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[2-chloro-4-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]carbamate (CID 67267595) is 2-methylpropyl N-[2-chloro-4-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[2-chloro-4-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[2-chloro-4-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]carbamate is CC(C)COC(=O)Nc1ccc(N(C)Cc2ccc(Cl)s2)cc1Cl.
What is the InChIKey of 2-methylpropyl N-[2-chloro-4-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]carbamate?
The InChIKey is WJLXTOBWTZRKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O2S/c1-11(2)10-23-17(22)20-15-6-4-12(8-14(15)18)21(3)9-13-5-7-16(19)24-13/h4-8,11H,9-10H2,1-3H3,(H,20,22).
What are the key properties of 2-methylpropyl N-[2-chloro-4-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]carbamate?
2-methylpropyl N-[2-chloro-4-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]carbamate has a molecular weight of 387.33 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-chloro-4-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]carbamate is sourced from PubChem (CID 67267595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).