[(2S)-1-[[2-(dimethylsulfamoylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl] N-(4-bromophenyl)carbamate

C17H25BrN4O6S — CID 122551310

IUPAC[(2S)-1-[[2-(dimethylsulfamoylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl] N-(4-bromophenyl)carbamate
SMILESCC(C)C[C@H](OC(=O)Nc1ccc(Br)cc1)C(=O)NCC(=O)NS(=O)(=O)N(C)C
InChIInChI=1S/C17H25BrN4O6S/c1-11(2)9-14(28-17(25)20-13-7-5-12(18)6-8-13)16(24)19-10-15(23)21-29(26,27)22(3)4/h5-8,11,14H,9-10H2,1-4H3,(H,19,24)(H,20,25)(H,21,23)/t14-/m0/s1
InChIKeySAKAWDTUUDNNBC-AWEZNQCLSA-N
MW493.38 g/mol
LogP1.45
Rot. Bonds9

About [(2S)-1-[[2-(dimethylsulfamoylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl] N-(4-bromophenyl)carbamate

[(2S)-1-[[2-(dimethylsulfamoylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl] N-(4-bromophenyl)carbamate (PubChem CID 122551310) has the molecular formula C17H25BrN4O6S and a molecular weight of 493.38 g/mol. Its IUPAC name is [(2S)-1-[[2-(dimethylsulfamoylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl] N-(4-bromophenyl)carbamate.

Molecular Properties

Compound Name[(2S)-1-[[2-(dimethylsulfamoylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl] N-(4-bromophenyl)carbamate
PubChem CID122551310
Molecular FormulaC17H25BrN4O6S
Molecular Weight493.38 g/mol
Exact Mass492.07
IUPAC Name[(2S)-1-[[2-(dimethylsulfamoylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl] N-(4-bromophenyl)carbamate
SMILESCC(C)C[C@H](OC(=O)Nc1ccc(Br)cc1)C(=O)NCC(=O)NS(=O)(=O)N(C)C
InChIInChI=1S/C17H25BrN4O6S/c1-11(2)9-14(28-17(25)20-13-7-5-12(18)6-8-13)16(24)19-10-15(23)21-29(26,27)22(3)4/h5-8,11,14H,9-10H2,1-4H3,(H,19,24)(H,20,25)(H,21,23)/t14-/m0/s1
InChIKeySAKAWDTUUDNNBC-AWEZNQCLSA-N
XLogP1.45
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.38
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[[2-(dimethylsulfamoylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl] N-(4-bromophenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2S)-2-[(4-bromophenyl)carbamoyloxy]-4-methylpentanoyl]amino]acetic acid
CID 118096963
2-[[4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoyloxy]pentanoyl]amino]acetic acid
CID 123888731
tert-butyl 2-[[2-[(4-bromophenyl)carbamoyloxy]-4-methylpentanoyl]-ethylamino]acetate
CID 123929810
[(2S)-butan-2-yl] N-(4-bromophenyl)carbamate
CID 124750280
(2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-(dimethylamino)pentanamide
CID 97097882
(2S)-2-[(4-bromophenyl)carbamoylamino]-N-[2-(dimethylamino)-2-oxoethyl]-4-methylpentanamide
CID 71525640
N-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide
CID 43372196
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593
(2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 55959790
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[2-(dimethylsulfamoylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl] N-(4-bromophenyl)carbamate?
The IUPAC name of [(2S)-1-[[2-(dimethylsulfamoylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl] N-(4-bromophenyl)carbamate (CID 122551310) is [(2S)-1-[[2-(dimethylsulfamoylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl] N-(4-bromophenyl)carbamate.
What is the SMILES notation for [(2S)-1-[[2-(dimethylsulfamoylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl] N-(4-bromophenyl)carbamate?
The canonical SMILES for [(2S)-1-[[2-(dimethylsulfamoylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl] N-(4-bromophenyl)carbamate is CC(C)C[C@H](OC(=O)Nc1ccc(Br)cc1)C(=O)NCC(=O)NS(=O)(=O)N(C)C.
What is the InChIKey of [(2S)-1-[[2-(dimethylsulfamoylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl] N-(4-bromophenyl)carbamate?
The InChIKey is SAKAWDTUUDNNBC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25BrN4O6S/c1-11(2)9-14(28-17(25)20-13-7-5-12(18)6-8-13)16(24)19-10-15(23)21-29(26,27)22(3)4/h5-8,11,14H,9-10H2,1-4H3,(H,19,24)(H,20,25)(H,21,23)/t14-/m0/s1.
What are the key properties of [(2S)-1-[[2-(dimethylsulfamoylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl] N-(4-bromophenyl)carbamate?
[(2S)-1-[[2-(dimethylsulfamoylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl] N-(4-bromophenyl)carbamate has a molecular weight of 493.38 g/mol, XLogP of 1.45, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[2-(dimethylsulfamoylamino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl] N-(4-bromophenyl)carbamate is sourced from PubChem (CID 122551310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).