ethyl N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]carbamate

C16H20N4O5S2 — CID 38430064

IUPACethyl N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1
InChIInChI=1S/C16H20N4O5S2/c1-3-25-16(22)17-9-8-14(21)19-15-18-13(10-26-15)11-4-6-12(7-5-11)20-27(2,23)24/h4-7,10,20H,3,8-9H2,1-2H3,(H,17,22)(H,18,19,21)
InChIKeyORRNFYKYAWWCQC-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.26
Rot. Bonds8

About ethyl N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]carbamate

ethyl N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]carbamate (PubChem CID 38430064) has the molecular formula C16H20N4O5S2 and a molecular weight of 412.49 g/mol. Its IUPAC name is ethyl N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]carbamate
PubChem CID38430064
Molecular FormulaC16H20N4O5S2
Molecular Weight412.49 g/mol
Exact Mass412.09
IUPAC Nameethyl N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]carbamate
SMILESCCOC(=O)NCCC(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1
InChIInChI=1S/C16H20N4O5S2/c1-3-25-16(22)17-9-8-14(21)19-15-18-13(10-26-15)11-4-6-12(7-5-11)20-27(2,23)24/h4-7,10,20H,3,8-9H2,1-2H3,(H,17,22)(H,18,19,21)
InChIKeyORRNFYKYAWWCQC-UHFFFAOYSA-N
XLogP2.26
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46573515
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 24568469
2-(4-ethoxyphenyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide
CID 24568286
2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 120552976
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 24568361
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 24568443
(E)-N-[2-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55560645
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 46667755
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 2090742
2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide
CID 25325724
ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate
CID 3624682
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43000018

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]carbamate?
The IUPAC name of ethyl N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]carbamate (CID 38430064) is ethyl N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]carbamate.
What is the SMILES notation for ethyl N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]carbamate?
The canonical SMILES for ethyl N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]carbamate is CCOC(=O)NCCC(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1.
What is the InChIKey of ethyl N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]carbamate?
The InChIKey is ORRNFYKYAWWCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S2/c1-3-25-16(22)17-9-8-14(21)19-15-18-13(10-26-15)11-4-6-12(7-5-11)20-27(2,23)24/h4-7,10,20H,3,8-9H2,1-2H3,(H,17,22)(H,18,19,21).
What are the key properties of ethyl N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]carbamate?
ethyl N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]carbamate has a molecular weight of 412.49 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 38430064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).